Herb ID: H00318

Herb General Information

Herb Latin Name Hypericum perforatum Herb English Name St. John’s wort
Herb Pinyin Name GUAN YE LIAN QIAO Herb Chinese Name 贯叶连翘
Properties bitter; sour; cold Meridians liver; gallbladder; stomach; bladde...
Use Part whole herb with root Function
To promote astriction and stanch bleeding, regulate menstruation and free milk, clear heat and resolve toxin, disinhibit damp.
Indication
Hemoptysis, blood ejection, intestinal wind bleeding, flooding and spotting, bleeding due to external injury, menstrual disorder, galactostasis, jaundice, throat pain, red eyes with gall, urinary tract infection, mouth sore, nose sores, swelling toxin of welling abscess and boil, burns and scalds.
Toxicity NA
Therapeutic Class Heat clearence,blood activation and stasis removal Therapeutic Class (Chinese) 清热活血化淤
HERB ID HERB001982 SymMap ID NA
NPASS ID NPO4391 Taxonomy ID 65561

Lineage

  • Superkingdom: Eukaryota
    • Kingdom: Viridiplantae
      • Phylum: Streptophyta
        • Class: Magnoliopsida
          • Order: Malpighiales
            • Family: Hypericaceae
              • Genus: Hypericum

Drug-Herb Interactions

  • Drugs
  • Herb
  • Positive
  • Negative
  • Possible
  • Harmful
  • No Effect
Drug ID Drug Name Drug Brand Name Drug Dose Drug Dosage Form Food Dose Experimental Species Individuals Number Test Sample Ingredient Effect Relationship Classification
Drug ID Drug Name Drug Brand Name Drug Dose Drug Dosage Form Food Dose Experimental Species Individuals Number Test Sample Ingredient Effect Relationship Classification

Herb Individual Ingredients

Ingredient Name SMILES Molecular Weight PubChem CID NPASS ID
3,4-Dihydroxybenzoic acid C1=CC(=C(C=C1C(=O)O)O)O 154.12 72 NPC156654
Catechol C1=CC=C(C(=C1)O)O 110.11 289 NPC204932
Octane CCCCCCCC 114.23 356 NPC278711
Phloroglucinol C1=C(C=C(C=C1O)O)O 126.11 359 NPC4154
Hexitol C(C(C(C(C(CO)O)O)O)O)O 182.17 453 NPC192065
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid C1C(C(C(C=C1C(=O)O)O)O)O 174.15 1094 NPC275255
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 1203 NPC61477
Tacrine C1CCC2=NC3=CC=CC=C3C(=C2C1)N 198.26 1935 NPC479379
Benzyl Benzoate C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 212.24 2345 NPC118343
Emodin CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O 270.24 3220 NPC254847
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 610.6 3594 NPC44328
Acurea CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C 536.8 3662 NPC119823
Stearic Acid CCCCCCCCCCCCCCCCCC(=O)O 284.5 5281 NPC209970
Reserpine COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC 608.7 5770 NPC88923
Hexanal CCCCCC=O 100.16 6184 NPC59581
Mannitol C(C(C(C(C(CO)O)O)O)O)O 182.17 6251 NPC86412
Quinic acid C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 6508 NPC237532
Linalool, (+/-)- CC(=CCCC(C)(C=C)O)C 154.25 6549 NPC180871
alpha-PINENE CC1=CCC2CC1C2(C)C 136.23 6654 NPC13991
Guaiene CC1CCC(=C(C)C)CC2=C1CCC2C 204.35 6949 NPC274584
p-Menthan-3-one CC1CCC(C(=O)C1)C(C)C 154.25 6986 NPC59570
Xanthone C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 196.2 7020 NPC35744
Carvone, (+/-)- CC1=CCC(CC1=O)C(=C)C 150.22 7439 NPC58970
alpha-PHELLANDRENE CC1=CCC(C=C1)C(C)C 136.23 7460 NPC45727
gamma-Terpinene CC1=CCC(=CC1)C(C)C 136.23 7461 NPC213749
alpha-Terpinene CC1=CC=C(CC1)C(C)C 136.23 7462 NPC239039
p-CYMENE CC1=CC=C(C=C1)C(C)C 134.22 7463 NPC88566
Phenethyl isobutyrate CC(C)C(=O)OCCC1=CC=CC=C1 192.25 7655 NPC103387
Nonane CCCCCCCCC 128.25 8141 NPC227986
Decanal CCCCCCCCCC=O 156.26 8175 NPC262505
Undecanal CCCCCCCCCCC=O 170.29 8186 NPC261991
1-Tetradecanol CCCCCCCCCCCCCCO 214.39 8209 NPC185041
Shikimic acid C1C(C(C(C=C1C(=O)O)O)O)O 174.15 8742 NPC47844
Estragole COC1=CC=C(C=C1)CC=C 148.2 8815 NPC71853
Nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 8888 NPC67761
Phytol [FHFI] CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 9018 NPC117493
Cianidanol C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 9064 NPC219876
6-Methyl-5-hepten-2-one CC(=CCCC(=O)C)C 126.2 9862 NPC38497
1,6-Dimethyl-4-isopropyltetralin CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 10224 NPC252539
(E)-beta-farnesene CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 10407 NPC248726
6,10,14-Trimethylpentadecan-2-one CC(C)CCCC(C)CCCC(C)CCCC(=O)C 268.5 10408 NPC233533
Myrtenol CC1(C2CC=C(C1C2)CO)C 152.23 10582 NPC107540
alpha-Bisabolol CC1=CCC(CC1)C(C)(CCC=C(C)C)O 222.37 10586 NPC271087
Hesperidin CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O 610.6 10621 NPC79056
Beta-Phellandrene CC(C)C1CCC(=C)C=C1 136.23 11142 NPC144023
4-Terpineol, (+/-)- CC1=CCC(CC1)(C(C)C)O 154.25 11230 NPC177112
Terpinolene CC1=CCC(=C(C)C)CC1 136.23 11463 NPC3649
Heptacosane CCCCCCCCCCCCCCCCCCCCCCCCCCC 380.7 11636 NPC153958
Tridecane CCCCCCCCCCCCC 184.36 12388 NPC273385
Nonadecane CCCCCCCCCCCCCCCCCCC 268.5 12401 NPC127122
Heneicosane CCCCCCCCCCCCCCCCCCCCC 296.6 12403 NPC223455
Pentacosane CCCCCCCCCCCCCCCCCCCCCCCCC 352.7 12406 NPC90232
Nonacosane CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 408.8 12409 NPC26974
Tricosane CCCCCCCCCCCCCCCCCCCCCCC 324.6 12534 NPC278683
Isoamyl isovalerate CC(C)CCOC(=O)CC(C)C 172.26 12613 NPC168714
2-Isopropyl-5-methylanisole CC1=CC(=C(C=C1)C(C)C)OC 164.24 14104 NPC24327
Undecane CCCCCCCCCCC 156.31 14257 NPC82648
Caryophyllene epoxide CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 14350 NPC106250
beta-Pinene CC1(C2CCC(=C)C1C2)C 136.23 14896 NPC78551
2-Methyldodecane CCCCCCCCCCC(C)C 184.36 15270 NPC87081
3-Hydroxytetradecanoic acid CCCCCCCCCCCC(CC(=O)O)O 244.37 16064 NPC296146
Carvone, (+)- CC1=CCC(CC1=O)C(=C)C 150.22 16724 NPC163984
Alpha-Terpineol CC1=CCC(CC1)C(C)(C)O 154.25 17100 NPC26906
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- CC1=CCC2(C1C2)C(C)C 136.23 17868 NPC215632
2-Methyloctane CCCCCCC(C)C 128.25 18591 NPC142924
Sabinen CC(C)C12CCC(=C)C1C2 136.23 18818 NPC246165
Copaene CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 19725 NPC95675
3-Methylnonane CCCCCCC(C)CC 142.28 22202 NPC16087
Linalyl oxide CC1(CCC(O1)C(C)(C)O)C=C 170.25 22310 NPC1656
Limonene, (+/-)- CC1=CCC(CC1)C(=C)C 136.23 22311 NPC34764
2-Methyldecane CCCCCCCCC(C)C 156.31 23415 NPC107015
Tridecanal CCCCCCCCCCCCC=O 198.34 25311 NPC199310
Menthone CC1CCC(C(=O)C1)C(C)C 154.25 26447 NPC45270
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- CC1=CCC(CC1)(C(C)CCC=C(C)C)O 222.37 27208 NPC36083
Calarene CC1CCC=C2C1(C3C(C3(C)C)CC2)C 204.35 28481 NPC10455
Myrcene CC(=CCCC(=C)C=C)C 136.23 31253 NPC138113
Nonanal CCCCCCCCC=O 142.24 31289 NPC49151
(+)-Quinic acid C1C(C(C(CC1(C(=O)O)O)O)O)O 192.17 37439 NPC47993
2,6-Dimethyl-5-heptenal CC(CCC=C(C)C)C=O 140.22 61016 NPC106819
Isobutyl benzoate CC(C)COC(=O)C1=CC=CC=C1 178.23 61048 NPC225060
Myrtenal CC1(C2CC=C(C1C2)C=O)C 150.22 61130 NPC16070
2-Methylbutyl isovalerate CCC(C)COC(=O)CC(C)C 172.26 62445 NPC41007
beta-Bourbonene CC(C)C1CCC2(C1C3C2CCC3=C)C 204.35 62566 NPC271321
Linalool, (+)- CC(=CCCC(C)(C=C)O)C 154.25 67179 NPC139546
Cyclotetradecane C1CCCCCCCCCCCCC1 196.37 67524 NPC27584
Zoledronic acid C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O 272.09 68740 NPC478721
Epicatechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 72276 NPC126029
Epigallocatechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O 306.27 72277 NPC220825
Skyrin CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O 538.5 73071 NPC37709
(-)-Catechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 73160 NPC15658
Methyl betulinate CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC 470.7 73493 NPC12774
(+)-alpha-Pinene CC1=CCC2CC1C2(C)C 136.23 82227 NPC114239
(-)-alpha-Cubebene CC1CCC(C2C13C2C(=CC3)C)C(C)C 204.35 86609 NPC61769
cis-beta-Copaene CC(C)C1CCC2(C3C1C2C(=C)CC3)C 204.35 87529 NPC245858
Myrtenol, (-)- CC1(C2CC=C(C1C2)CO)C 152.23 88301 NPC14426
Aromadendrene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 91354 NPC249815
Spathulenol CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 92231 NPC184049
Ledol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 92812 NPC152964
3-Hydroxydodecanoic acid CCCCCCCCCC(CC(=O)O)O 216.32 94216 NPC29936
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetaldehyde CC1=CCC(C1(C)C)CC=O 152.23 98497 NPC31789
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 101708 NPC254156
Globulol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 101716 NPC239037
2-Methylbutyl benzoate CCC(C)COC(=O)C1=CC=CC=C1 192.25 103653 NPC72973
Isoorientin C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O 448.4 114776 NPC53545
Astilbin CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 450.4 119258 NPC270578
Procyanidin B2, (+)- C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.5 122738 NPC236202
Procyanidin A2 C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O 576.5 124025 NPC272552
L-Mannitol C(C(C(C(C(CO)O)O)O)O)O 182.17 136460 NPC220724
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 145386 NPC20742
beta-Diploalbicene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 177445 NPC121322
(+)-Epicatechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 182232 NPC261619
(+/-)-Epicatechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 255538 NPC157410
3-Hydroxyhexadecanoic acid CCCCCCCCCCCCCC(CC(=O)O)O 272.42 301590 NPC86156
(-)-beta-Bourbonene CC(C)C1CCC2(C1C3C2CCC3=C)C 204.35 324224 NPC7314
Limonene, (-)- CC1=CCC(CC1)C(=C)C 136.23 439250 NPC190810
Carvone, (-)- CC1=CCC(CC1=O)C(=C)C 150.22 439570 NPC176819
Limonene, (+)- CC1=CCC(CC1)C(=C)C 136.23 440917 NPC76145
(+)-delta-Cadinene CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 441005 NPC202189
Hyperforin CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C 536.8 441298 NPC44963
Levomenol CC1=CCC(CC1)C(C)(CCC=C(C)C)O 222.37 442343 NPC157781
beta-Selinene CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 442393 NPC193180
Linalool, (-)- CC(=CCCC(C)(C=C)O)C 154.25 443158 NPC68889
(+)-Menthone CC1CCC(C(=O)C1)C(C)C 154.25 443159 NPC135077
(+)-alpha-Phellandrene CC1=CCC(C=C1)C(C)C 136.23 443160 NPC232375
(-)-alpha-Terpineol CC1=CCC(CC1)C(C)(C)O 154.25 443162 NPC214584
Ferulic acid COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 445858 NPC70744
2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol CC1=C2CC(CCC2(CCC1)C)C(C)(C)O 222.37 518516 NPC175108
Cubebene CC1CCC(C2C13C2C(=C)CC3)C(C)C 204.35 518814 NPC124876
p-Mentha-1,5-dien-8-ol CC1=CCC(C=C1)C(C)(C)O 152.23 519323 NPC14594
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 519361 NPC189853
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 519662 NPC289366
beta-Sesquiphellandrene CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 519764 NPC249009
beta-Ylangene CC(C)C1CCC2(C3C1C2C(=C)CC3)C 204.35 519779 NPC252268
epi-Cubenol CC1CCC(C2C1(CCC(=C2)C)O)C(C)C 222.37 519857 NPC34440
delta-Selinene CC1=C2C=C(CCC2(CCC1)C)C(C)C 204.35 520383 NPC208764
alpha-Himachalene CC1=CC2C(CC1)C(=C)CCCC2(C)C 204.35 520909 NPC124161
(+)-alpha-Longipinene CC1=CCC2C3C1C2(CCCC3(C)C)C 204.35 520957 NPC225463
(-)-Zingiberene CC1=CCC(C=C1)C(C)CCC=C(C)C 204.35 521253 NPC242314
1,1,7-Trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 522266 NPC138347
Rosifoliol CC1CCCC2(C1=CC(CC2)C(C)(C)O)C 222.37 527256 NPC250234
3,4-Dihydrocadalene CC1=CCC(C2=C1C=CC(=C2)C)C(C)C 200.32 528708 NPC122487
Longicyclene CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 564934 NPC285793
10-Epijunenol CC(C)C1CCC2(CCCC(=C)C2C1O)C 222.37 573015 NPC194367
gamma-Himachalene CC1=CC2C(CC1)C(=CCCC2(C)C)C 204.35 577062 NPC1144
3-(4-Hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C(=O)C5=CC=CC=C5O4)CO)O 436.4 580166 NPC478720
p-Coumaric acid C1=CC(=CC=C1C=CC(=O)O)O 164.16 637542 NPC81010
Caffeic Acid C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 689043 NPC294902
(-)-Myrtenal CC1(C2CC=C(C1C2)C=O)C 150.22 1201529 NPC105585
Jasmone CCC=CCC1=C(CCC1=O)C 164.24 1549018 NPC100380
(E)-jasmone CCC=CCC1=C(CCC1=O)C 164.24 1549019 NPC283178
cis-Caffeic acid C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 1549111 NPC1075
Bisabolol CC1=CCC(CC1)C(C)(CCC=C(C)C)O 222.37 1549992 NPC35519
(-)-Quinate C1C(C(C(CC1(C(=O)[O-])O)O)O)O 191.16 1560034 NPC248056
beta-CARYOPHYLLENE OXIDE CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 1742210 NPC13789
Isocaryophyllene oxide CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 1742211 NPC101285
cis-Chlorogenic acid C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 1794425 NPC167976
Chlorogenic Acid C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 1794427 NPC302857
(+)-Terpinen-4-ol CC1=CCC(CC1)(C(C)C)O 154.25 2724161 NPC188238
Saroaspidin A CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O 446.5 3082648 NPC272651
T-Muurolol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 3084331 NPC282694
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-] 196.95 3614338 NPC314315
Procyanidin A1 C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O 576.5 5089889 NPC85305
Querciturone C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.4 5274585 NPC235260
Quercetin C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 302.23 5280343 NPC20791
Phytol CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 5280435 NPC26960
Quercitrin CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.4 5280459 NPC173637
Beta-Carotene CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.9 5280489 NPC17810
Neochlorogenic acid C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 5280633 NPC278068
Apigetrin C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.4 5280704 NPC210003
Isoquercetin C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 5280804 NPC179950
Rutin CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.5 5280805 NPC176740
Kaempferol C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 5280863 NPC116775
Hypericin Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O 504.45 5281051 NPC227841
2-Hexenal CCCC=CC=O 98.14 5281168 NPC75204
Caryophyllene CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 5281515 NPC109813
Alpha-Farnesene CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 5281516 NPC60288
beta-Farnesene CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 5281517 NPC288932
Humulene CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 5281520 NPC66577
Isocaryophyllene CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 5281522 NPC60556
(3S,6E)-Nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 5281525 NPC277907
beta-OCIMENE, (3E)- CC(=CCC=C(C)C=C)C 136.23 5281553 NPC64176
Amentoflavone C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O 538.5 5281600 NPC138299
Chrysin C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O 254.24 5281607 NPC78540
Fisetin C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O 286.24 5281614 NPC51443
Hyperoside C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 5281643 NPC281131
Mangiferin C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O 422.3 5281647 NPC228383
Isorhamnetin COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 316.26 5281654 NPC125062
Norathyriol C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O 260.2 5281656 NPC194856
Pseudohypericin OCc1cc(O)c2c3c1c1c(C)cc(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O 520.449 5281751 NPC290194
1-Caffeoyl-beta-D-glucose C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O 342.3 5281761 NPC232880
2-Nonenal CCCCCCC=CC=O 140.22 5283335 NPC33489
trans-Nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 5284507 NPC51758
(R)-3-Hydroxytetradecanoic acid CCCCCCCCCCCC(CC(=O)O)O 244.37 5288266 NPC200618
(3R)-3-Hydroxydodecanoic acid CCCCCCCCCC(CC(=O)O)O 216.32 5312804 NPC131770
(S)-3-Hydroxymyristic acid CCCCCCCCCCCC(CC(=O)O)O 244.37 5312869 NPC64628
Uliginosin A CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)CC=C(C)C)O 500.6 5315117 NPC149168
Bicyclogermacrene CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 5315347 NPC227049
beta-Farnesene, (6Z)- CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 5317319 NPC155182
Germacrene D CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 5317570 NPC120926
cis-Nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 5320128 NPC108494
beta-Ocimene, (3Z)- CC(=CCC=C(C)C=C)C 136.23 5320250 NPC198658
Benzoicacidcyanomethylester CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 5320547 NPC38751
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.5 5320711 NPC251619
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 5322111 NPC175987
(-)-Terpinen-4-ol CC1=CCC(CC1)(C(C)C)O 154.25 5325830 NPC71506
Humulene epoxide CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C 220.35 5352470 NPC1838
Hex-3-enyl benzoate CCC=CCCOC(=O)C1=CC=CC=C1 204.26 5352601 NPC149975
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-chromen-4-one CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.4 5353915 NPC15970
Caryophyllene,alpha + beta mixt. CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 5354499 NPC231738
(Z)-Non-2-enal CCCCCCC=CC=O 140.22 5354833 NPC241721
(+)-Nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 5356544 NPC194586
quercetin 3-O-alpha-L-fucopyranoside CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.4 5359430 NPC306207
(Z,E)-alpha-Farnesene CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 5362889 NPC166692
3,7,11,15-Tetramethyl-2-hexadecen-1-OL CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 5366244 NPC182102
cis-3-Hexenyl benzoate CCC=CCCOC(=O)C1=CC=CC=C1 204.26 5367706 NPC35448
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 5373727 NPC43114
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 5378597 NPC145038
Apigenin 7-O-glucoside C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.4 5385553 NPC85473
Humulene epoxyde CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 5463721 NPC274681
1,3,5,6-Tetrahydroxyxanthone C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O 260.2 5479774 NPC196277
1,3,5-Trihydroxy-6-methoxyxanthone COC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O 274.22 5479775 NPC13373
Guaijaverin C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.3 5481224 NPC118284
1,6,7-Trihydroxy-3-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)xanthen-9-one CC(=CCC1=C(C2=C(C=C1CO)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C 410.5 5481476 NPC263290
YLILOANQCQKPOD-UHFFFAOYSA-N Cc1cc2-c3c4-c5cc(C)cc(c5C(=O)c5c(cc(c(c6c(cc(c(c36)C(=O)c2c(c1)O)O)O)c45)O)O)O 506.466 5489488 NPC239609
Avicularin C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.3 5490064 NPC67037
Toxyloxanthone C CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)(C)C 328.3 5495919 NPC205265
Reynoutrin C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.3 5878729 NPC5683
Cadina-1,4-diene CC1CCC(C2C1=CCC(=C2)C)C(C)C 204.35 6427091 NPC109838
Guaia-6,9-diene CC1CCC2C1C=C(CC=C2C)C(C)C 204.35 6427475 NPC269145
beta-Acoradiene CC1CCC(C12CCC(=CC2)C)C(=C)C 204.35 6428280 NPC277304
(Z)-2-hexenal CCCC=CC=O 98.14 6428782 NPC310820
trans-Calamenene CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 6429022 NPC7965
(Z)-caryophyllene CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 6429301 NPC209275
Oplopenone CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C 220.35 6429350 NPC194688
4,5-di-epi-Aristolochene CC1CCCC2=CCC(CC12C)C(=C)C 204.35 6429376 NPC67591
10-epi-gamma-Eudesmol CC1=C2CC(CCC2(CCC1)C)C(C)(C)O 222.37 6430754 NPC125017
cis-Phytol CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.5 6430833 NPC306990
(1R,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene CC1CCC(C2C1=CCC(=C2)C)C(C)C 204.35 6430869 NPC22054
alpha-Cedrene CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 6431015 NPC100570
(-)-Ledol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 6431133 NPC175913
Cadina-1,4-diene-3-ol CC1CCC(C2C1=CC(C(=C2)C)O)C(C)C 220.35 6431196 NPC230616
alpha-Cadinol #1 CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 6431302 NPC57877
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)]- CC1CCC(C2C13C2C(=C)CC3)C(C)C 204.35 6432083 NPC14576
Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 6432119 NPC86939
1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-(+)- CC1CCC=C2C1(C3C(C3(C)C)CC2)C 204.35 6432176 NPC30025
tau-Muurolol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 6432221 NPC131769
trans-Linalool oxide CC1(CCC(O1)C(C)(C)O)C=C 170.25 6432254 NPC41180
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4aalpha,8aalpha)- CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 6432308 NPC22484
(+)-gamma-Cadinene CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 6432404 NPC150329
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]- CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 6432455 NPC246543
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha)]- CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 6432543 NPC123229
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha)]- CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 6432561 NPC114992
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]- CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 6432640 NPC52230
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 6432706 NPC143639
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 6436582 NPC51189
Junenol CC(C)C1CCC2(CCCC(=C)C2C1O)C 222.37 6452077 NPC310862
(+)-Reserpine COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC 608.7 6604180 NPC100734
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)- CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 6604672 NPC7491
(S)-2,6-Dimethyl-5-heptenal CC(CCC=C(C)C)C=O 140.22 6994791 NPC157156
(R)-2,6-Dimethyl-5-heptenal CC(CCC=C(C)C)C=O 140.22 6997374 NPC88907
Cryptochlorogenic acid C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O 354.31 9798666 NPC92774
3-O-Feruloylquinic acid COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O 368.3 9799386 NPC98356
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 9859094 NPC36408
4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione CCC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C 550.8 9963735 NPC195940
Garcinone E CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C 464.5 10298511 NPC119224
Hyperbrasilol A CC(C)C(=O)C1=C(C2=C(C(=C1O)CC3=C(C(C(=O)C(=C3O)C(=O)C(C)C)(C)C)O)OC(C4C2CC(C4)(C)C)(C)C)O 568.7 10370755 NPC8123
[(2R,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O 600.5 10393794 NPC84811
3,8'-Biapigenin C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O 538.5 10414856 NPC288840
(+)-Epigallocatechin C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O 306.27 10425234 NPC42760
5,9-Dihydroxy-10-methoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4OC)O)O)(C)C 342.3 10641036 NPC478719
Humulene epoxide II CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 10704181 NPC160996
2-Naphthalenemethanol, 2,3,4,4a,5,6,7,8-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aS,8R)- CC1CCCC2(C1=CC(CC2)C(C)(C)O)C 222.37 10727766 NPC52897
trans-Cadina-1(6),4-diene CC1CCC(C2=C1CCC(=C2)C)C(C)C 204.35 10798255 NPC104724
Sabinene CC(C)C12CCC(=C)C1C2 136.23 10887971 NPC287660
(-)-Alloaromadendrene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 10899740 NPC90803
Viridiflorene CC1CCC2=C(CCC3C(C12)C3(C)C)C 204.35 10910653 NPC246544
(+)-Shikimic acid C1C(C(C(C=C1C(=O)O)O)O)O 174.15 10986763 NPC267649
(-)-Sabinene CC(C)C12CCC(=C)C1C2 136.23 11051711 NPC22229
(+)-Ledol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 11074994 NPC80090
(+)-Aromadendrene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 11095734 NPC23145
(-)-Isolongifolene CC1(CCC=C2C13CCC(C3)C2(C)C)C 204.35 11127402 NPC200129
(3R,6E)-nerolidol CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 11241545 NPC43728
Procyanidin B1 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.5 11250133 NPC108811
(+)-Calamenene CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 11298625 NPC279969
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 11557027 NPC135088
beta-Himachalene CC1=CC2C(=C(CCCC2(C)C)C)CC1 204.35 11586487 NPC191498
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 11751616 NPC88789
Cubenol CC1CCC(C2C1(CCC(=C2)C)O)C(C)C 222.37 11770062 NPC30430
Furohyperforin CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C 552.8 11800844 NPC203388
alpha-Acorenol CC1CCC(C12CCC(=CC2)C)C(C)(C)O 222.37 11972555 NPC64347
Torreyol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 11990360 NPC292092
Viridiflorol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 11996452 NPC75584
Quercetin 3-glucuronide C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.4 12004528 NPC155763
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene CC1=CCC2CC1C2(C)C 136.23 12223113 NPC71703
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)- CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 12227246 NPC209279
tau-Cadinol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 12302222 NPC254770
Apigenin-7-O-glucoside C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O 432.4 12304093 NPC39360
(+)-Globulol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 12304982 NPC297422
(-)-Globulol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 12304985 NPC95969
(+)-alpha-Muurolene CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 12306049 NPC220860
alpha-Cadinene CC1=CC2C(CC1)C(=CCC2C(C)C)C 204.35 12306052 NPC124885
delta-Cadinene CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 12306054 NPC91574
delta-Amorphene CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 12306056 NPC38104
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 12306059 NPC290078
Caryophyllene oxide 2 CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 13240188 NPC16157
Miquelianin (Quercetin 3-O-glucuronide) C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.4 13258914 NPC154172
Isobicyclogermacral CC1=CCCC(=CC2C(C2(C)C)CC1)C=O 218.33 13818876 NPC146192
Ent-Spathulenol CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 13854255 NPC99480
(1S,2Z,6Z,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 13894533 NPC31371
Bicyclogermacrene CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 13894537 NPC86538
Isospathulenol CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O 220.35 14038848 NPC139619
Sibirene CC(C)C1=CC2C(=C)CCCC2(CC1)C 204.35 14167644 NPC273825
(+)-Guaia-6,9-diene CC1CCC2C1C=C(CC=C2C)C(C)C 204.35 14190790 NPC266706
(-)-Guaia-6,9-diene CC1CCC2C1C=C(CC=C2C)C(C)C 204.35 14190792 NPC307984
Mintsulfide CC(C)C1CCC2(C1C3C(=C)CCC2S3)C 236.4 14564587 NPC1524
(+)(-)-(E)-beta-caryophyllene CC1(CC2C1CCC(=C)CCCC2=C)C 204.35 14757966 NPC294136
7(14)-Isodaucen-10-one CC(C)C1CCC2(C1CC(=C)CCC2=O)C 220.35 15118057 NPC176684
beta-Guaiene CC1CCC(=C(C)C)CC2=C1CCC2C 204.35 15560252 NPC7057
cis-beta-Guaiene CC1CCC(=C(C)C)CC2=C1CCC2C 204.35 15560253 NPC2951
(R)-beta-hydroxypalmitic acid CCCCCCCCCCCCCC(CC(=O)O)O 272.42 15569776 NPC90904
YWRCOVRJJXHFBO-UHFFFAOYSA-N Cc1cc(c2c3c1c1c(cc(c4c1c1c5c(c(C)cc(c5C4=O)O)c4c(cc(c(c4c31)C2=O)O)O)O)O)O 504.45 15680808 NPC21584
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.4 15939939 NPC127546
(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 16213223 NPC71665
(+)-Longicyclene CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 16217633 NPC125169
(1R,4S,5R)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene CC1CCC(C12CCC(=CC2)C)C(=C)C 204.35 20055537 NPC216410
(+)-beta-Caryophyllene CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 20831623 NPC309182
beta-Oplopenone CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C 220.35 21626411 NPC5275
(+)-Alloaromadendrene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 21775889 NPC41385
3-Hydroxytetradecanoate CCCCCCCCCCCC(CC(=O)[O-])O 243.36 22053132 NPC182724
3-Hydroxypalmitate CCCCCCCCCCCCCC(CC(=O)[O-])O 271.42 22183159 NPC86154
Ledum camphor CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 22297324 NPC9424
1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 23274265 NPC196711
(+)-germacrene D CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 24771782 NPC218918
BTXNYTINYBABQR-UHFFFAOYSA-L Cc1cc(c2c3c1c1c(C)cc(c4c1c1c5c(c(cc(c5C4=O)O)O)c4c(cc(c(c4c31)C2=O)O)O)[O-])[O-] 502.434 25202775 NPC227839
Allo-Aromadendrene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 42608158 NPC277736
Salvial-4(14)-en-1-one CC(C)C1CCC2(C1CC(=C)CCC2=O)C 220.35 42608172 NPC276264
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.3 44144273 NPC255615
Garcinone C CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C 414.4 44159808 NPC92032
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.4 44259091 NPC252558
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 434.3 44259215 NPC204759
(2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.4 44259219 NPC65966
(1S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C 552.8 44427231 NPC99657
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene CC1=CCCC(=CC2C(C2(C)C)CC1)C 204.35 44583886 NPC268164
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aS,7R,7aR,7bS)-(-)- CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 44584667 NPC90506
2-[[(8R,9S,27R,29S,30R)-1,2,2,14,15,16,19,20,35,36-decahydroxy-3,6,11,24,32-pentaoxo-29-(3,4,5-trihydroxybenzoyl)oxy-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)OC1=C(C(=C(C=C1C(=O)O)O)O)O)O)O)O)O)O 1120.7 46905123 NPC41845
Quercitrin-7-olate CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)[O-])O)O)O)O 447.4 49792009 NPC173638
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 49796490 NPC214909
(+)-tau-Muurolol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 51394521 NPC12845
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O 610.5 53399169 NPC218109
3,4-Dihydroxybenzoate C1=CC(=C(C=C1C(=O)O)O)[O-] 153.11 54675866 NPC156655
Paxanthonin CC(=C)C1CC(C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC(=C4OC)O)O 410.5 70698384 NPC171816
1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, (1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R*))- CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 71311545 NPC49053
Paxanthone CC1(C=CC2=C3C(=CC(=C2O1)OC)OC4=CC(=CC(=C4C3=O)O)O)C 340.3 71591732 NPC100559
1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)xanthone CC(=C)C(CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)O 328.3 73891071 NPC275685
(9S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane CC1(CCCC2(C3C1C4C2(C4C3)C)C)C 204.35 75530194 NPC210659
Hyperasid C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] 463.4 90657624 NPC281128
Cubeban-11-ol CC1CCC23C1C2C(CCC3C)C(C)(C)O 222.37 91704131 NPC201077
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 91746456 NPC287335
m-Mentha-1,8-diene, (+)- CC1=CCCC(C1)C(=C)C 136.23 91746479 NPC60419
3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)- CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 91746521 NPC105557
Alloaromadendren CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 91746537 NPC12269
trans-Cadina-1,4-diene CC1CCC(C2C1=CCC(=C2)C)C(C)C 204.35 91746579 NPC74569
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 91746597 NPC289120
14-Oxy-alpha-muurolene CC1=CC2C(CC1)C(=CCC2C(C)C)C=O 218.33 91746681 NPC90889
2-[(7R,10R)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-2-ol CC1CCC23C1C2C(CCC3C)C(C)(C)O 222.37 91747362 NPC168943
(1R,2R,5S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 91750491 NPC171568
(-)-beta-Acoradiene CC1CCC(C12CCC(=CC2)C)C(=C)C 204.35 91751401 NPC68052
alpha-Muurolol CC1=CC2C(CCC(C2CC1)(C)O)C(C)C 222.37 91753440 NPC233473
Amorpha-4,7(11)-diene CC1CCC(=C(C)C)C2C1CCC(=C2)C 204.35 91753509 NPC297528
CID 92476330 CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 92476330 NPC25275
(1S)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene CC1CCC2C1C=C(CC=C2C)C(C)C 204.35 101594133 NPC154361
Isospathulenol CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O 220.35 102303030 NPC148671
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene C/C/1=C\CCC(=C)C=CC(CC1)C(C)C 204.35 74764030 NPC300649
NA C/C/1=C/CCC(=C)C=CC(CC1)C(C)C 204.35 92003564 NPC290189
2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol CC(C)([C@@H]1CC2=C(O1)C=C(C=C2OC)C3=CC=CC=C3)O 284.3 145959276 NPC478718
(3S)-5-methoxy-2,2-dimethyl-7-phenyl-3,4-dihydrochromen-3-ol CC1([C@H](CC2=C(O1)C=C(C=C2OC)C3=CC=CC=C3)O)C 284.3 145951776 NPC478717
(3R,8R,9R,10S,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@]3(CC[C@H](C4)O)C)C)C(C)C 414.7 162965363 NPC27657
(4R,4aR,6aS,6aS,6bS,8aS,12aR,14aR,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one C[C@H]1C(=O)CC[C@H]2[C@]1(CC[C@H]3[C@@]2(CC[C@@]4([C@]3(CC[C@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C 426.7 162968765 NPC118695
(4aS,6aS,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O 456.7 162956255 NPC44842
NA C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-] 463.4 54758589 NPC275463
4-Hydroxy-6-methyl-3,7-bis(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione CC(C)C(=O)C12C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)C(=O)C(=C2O)CC=C(C)C 468.7 53394331 NPC138883
(1S,3S,8R,9R,10S)-8-acetyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione CC(=CCC[C@@]1([C@H](C[C@]23C[C@H](OC2=C(C(=O)[C@]1(C3=O)C(=O)C)CC=C(C)C)C(C)(C)O)CC=C(C)C)C)C 524.7 145960915 NPC483058
NA CCC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)[O-])CC=C(C)C 549.8 90658004 NPC195938
(1S,4R,5R,8R,10S,11R)-5-hydroxy-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C([C@H]([C@@H](O3)C(C)(C)O)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C 568.8 145963676 NPC483054
(1S,4S,5S,8R,10S,11R)-5-hydroxy-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C([C@@H]([C@H](O3)C(C)(C)O)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C 568.8 145962235 NPC483053
(1S,4S,8R,10S,11R)-11-[(3S)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C(C[C@H](O3)C(C)(C)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CC[C@@H](C(=C)C)O)CC=C(C)C)CC=C(C)C 568.8 145961749 NPC483051
(1S,4S,8R,10S,11R)-11-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C(C[C@H](O3)C(C)(C)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CC[C@H](C(=C)C)O)CC=C(C)C)CC=C(C)C 568.8 145962810 NPC483052
(1S,3S,8R,9R,10S)-9-[(3S)-3-hydroxy-4-methylpent-4-enyl]-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione CC(C)C(=O)[C@]12C(=O)C(=C3[C@](C1=O)(C[C@@H]([C@@]2(C)CC[C@@H](C(=C)C)O)CC=C(C)C)C[C@H](O3)C(C)(C)O)CC=C(C)C 568.8 145960412 NPC483057
(1S,3S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methyl-3-oxopentyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione CC(C)C(=O)CC[C@@]1([C@H](C[C@]23C[C@H](OC2=C(C(=O)[C@]1(C3=O)C(=O)C(C)C)CC=C(C)C)C(C)(C)O)CC=C(C)C)C 568.8 145962435 NPC483059
(1R,4R,8R,9R,10S)-9-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C(=O)C3=C([C@](C1=O)(C[C@@H]([C@@]2(C)CC[C@H](C(=C)C)O)CC=C(C)C)CC=C(C)C)O[C@H](C3)C(C)(C)O 568.8 145962855 NPC483062
(1R,4S,8R,9R,10S)-9-[(3R)-3-hydroxy-4-methylpent-4-enyl]-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C(=O)C3=C([C@](C1=O)(C[C@@H]([C@@]2(C)CC[C@H](C(=C)C)O)CC=C(C)C)CC=C(C)C)O[C@@H](C3)C(C)(C)O 568.8 145961216 NPC483061
(1R,4R,5R,8S,9R,10S)-5-hydroxy-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C(=O)C3=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O[C@H]([C@@H]3O)C(C)(C)O 568.8 145961178 NPC483064
(1R,4S,5S,8S,9R,10S)-5-hydroxy-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C(=O)C3=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O[C@@H]([C@H]3O)C(C)(C)O 568.8 145961697 NPC483063
(1R,4S,8R,9R,10S)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methyl-3-oxopentyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)CC[C@@]1([C@H](C[C@@]2(C3=C(C[C@H](O3)C(C)(C)O)C(=O)[C@]1(C2=O)C(=O)C(C)C)CC=C(C)C)CC=C(C)C)C 568.8 145961737 NPC483060
(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-[(E)-4-methoxy-4-methylpent-2-enyl]-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C(C[C@H](O3)C(C)(C)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)C/C=C/C(C)(C)OC)CC=C(C)C)CC=C(C)C 582.8 139049968 NPC483056
(1S,4R,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-[(E)-4-methoxy-4-methylpent-2-enyl]-11-methyl-8,10-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione CC(C)C(=O)[C@]12C3=C(C[C@@H](O3)C(C)(C)O)C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)C/C=C/C(C)(C)OC)CC=C(C)C)CC=C(C)C 582.8 145961657 NPC483055
Ingredient Name SMILES Molecular Weight PubChem CID NPASS ID