| 4-Isopropylbenzyl alcohol |
CC(C)C1=CC=C(C=C1)CO |
150.22 |
325 |
NPC93843 |
| Palmitic Acid |
CCCCCCCCCCCCCCCC(=O)O |
256.42 |
985 |
NPC216630 |
| Bergapten |
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
216.19 |
2355 |
NPC74539 |
| Methoxsalen |
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
216.19 |
4114 |
NPC33320 |
| Nitidine |
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
348.4 |
4501 |
NPC271215 |
| Skimmianine |
COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC |
259.26 |
6760 |
NPC34770 |
| Estragole |
COC1=CC=C(C=C1)CC=C |
148.2 |
8815 |
NPC71853 |
| (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
354.31 |
9476 |
NPC37250 |
| Pentosalen |
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
270.28 |
10212 |
NPC243509 |
| Xanthoxyletin |
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
258.269 |
66548 |
NPC154176 |
| Linalool, (+)- |
CC(=CCCC(C)(C=C)O)C |
154.25 |
67179 |
NPC139546 |
| Isoimperatorin |
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C |
270.28 |
68081 |
NPC88445 |
| Epicatechin |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
290.27 |
72276 |
NPC126029 |
| Phellopterin |
CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C |
300.3 |
98608 |
NPC210460 |
| Schinifoline |
CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
257.37 |
133504 |
NPC177684 |
| Beta-Sitosterol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
414.7 |
222284 |
NPC230301 |
| (+)-alpha-Terpineol |
CC1=CCC(CC1)C(C)(C)O |
154.25 |
442501 |
NPC27184 |
| Imperialine |
CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O |
429.6 |
442977 |
NPC220111 |
| Norchelerythrine |
COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC |
333.3 |
443719 |
NPC235076 |
| Neobyakangelicol |
CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O |
316.3 |
616064 |
NPC107244 |
| Isooxypeucedanin |
CC(C)C(=O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
286.28 |
625383 |
NPC60175 |
| Byakangelicol |
CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C |
316.3 |
3055167 |
NPC144288 |
| 8-Hydroxybergapten |
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O |
232.19 |
3083726 |
NPC281835 |
| Formamide, N-(6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl- |
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O |
381.4 |
3085181 |
NPC37733 |
| Quercetin |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
302.23 |
5280343 |
NPC20791 |
| 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 |
| 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 |
| 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 |
| Zanthobungeanine |
CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)C |
271.31 |
5315422 |
NPC182432 |
| Cnidium lactone |
CCCCC1C2=CCCCC2C(=O)O1 |
194.27 |
5315981 |
NPC167488 |
| Alloisoimperatorin |
CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C |
270.28 |
5317436 |
NPC253526 |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,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 |
5317847 |
NPC98143 |
| Isobyakangelicol |
CC(C)C(=O)COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2 |
316.3 |
5318521 |
NPC272965 |
| (1R,4S,4aR)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
238.37 |
5318522 |
NPC3044 |
| Isoindigo |
OC1=Nc2c(/C/1=C/1\C(=Nc3c1cccc3)O)cccc2 |
262.268 |
5318575 |
NPC147957 |
| 1,5,11,11-Tetramethyltricyclo[6.2.1.02,6]undec-9-ene |
CC1CCC2C1CC3C=CC2(C3(C)C)C |
204.35 |
5318620 |
NPC206596 |
| isorhamnetin 3-O-glucoside |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
478.4 |
5318645 |
NPC225434 |
| 8-Prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one |
CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
228.24 |
5318874 |
NPC281658 |
| (24S)-16-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione |
CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=C3C=CC(=C6)OC)C1 |
394.5 |
5319456 |
NPC226827 |
| Hexa-1,3-diynylbenzene |
CCC#CC#CC1=CC=CC=C1 |
154.21 |
5320055 |
NPC124226 |
| 3,5,6-Trihydroxy-7,4'-dimethoxyflavone |
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)O |
330.29 |
5322058 |
NPC7180 |
| 2,3,4-Trimethyl-5-phenyloxazolidine |
CC1C(OC(N1C)C)C2=CC=CC=C2 |
191.27 |
5322112 |
NPC176790 |
| (-)-Terpinen-4-ol |
CC1=CCC(CC1)(C(C)C)O |
154.25 |
5325830 |
NPC71506 |
| 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 |
| N-acetylanonaine |
CC(=O)N1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 |
307.3 |
6453733 |
NPC241055 |
| Isorhamnetin 7-glucoside |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
478.4 |
6455477 |
NPC10146 |
| (+)-Linalyl acetate |
CC(=CCCC(C)(C=C)OC(=O)C)C |
196.29 |
6999980 |
NPC215894 |
| Hydroxy-alpha-sanshool |
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O |
263.37 |
10084135 |
NPC184014 |
| Hydroxy-Beta-Sanshool |
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O |
263.37 |
10220912 |
NPC132669 |
| (-)-Praeruptorin B |
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C |
426.5 |
10251869 |
NPC287182 |
| (2S)-1-[(2E)-2-[(2R)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate |
C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O |
712.6 |
11968640 |
NPC163343 |
| 4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid |
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
330.29 |
14132337 |
NPC9874 |
| (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide |
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O |
289.4 |
14135316 |
NPC269800 |
| Hydroxy-gamma-Sanshool |
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O |
289.4 |
14135317 |
NPC14234 |
| (2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide |
CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O |
291.4 |
14135319 |
NPC246519 |
| (2E,4E,8Z,11E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide |
CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O |
291.4 |
14135320 |
NPC44193 |
| (R-(E))-5-Isopropyl-8-methylnona-6,8-dien-2-one |
CC(C)C(CCC(=O)C)C=CC(=C)C |
194.31 |
16058296 |
NPC310175 |
| 9-Hydroxy-5,6-dihydrofuro[3,2-g]chromen-7-one |
C1CC(=O)OC2=C1C=C3C=COC3=C2O |
204.18 |
29920867 |
NPC194691 |
| (2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide |
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O |
263.37 |
46870578 |
NPC151327 |
| 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O |
508.4 |
94858662 |
NPC131417 |
| (2E,6R,7E,9E)-6-Hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide |
CC(=O)C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O |
295.37 |
101357058 |
NPC75428 |
| 3,7-Bis(beta-D-glucopyranosyloxy)-3',5-dihydroxy-4'-methoxyflavone |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
640.5 |
102574483 |
NPC14213 |
| (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid |
COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O |
368.3 |
131853509 |
NPC253754 |
| (2E,7E,9E)-N-(2-Hydroxy-2-methylpropyl)-6,11-dioxy-2,7,9-dodecatrieneamide |
CC(=O)C=CC=CC(=O)CCC=CC(=O)NCC(C)(C)O |
293.36 |
132575014 |
NPC6323 |
| Quinic Acid |
C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O |
192.17 |
6508 |
NPC57788 |
| (2E,6E,8E)-N-(2-hydroxy-2-methylpropyl)-10-oxodeca-2,6,8-trienamide |
CC(C)(CNC(=O)/C=C/CC/C=C/C=C/C=O)O |
251.32 |
166033765 |
NPC103123 |
| 9-Methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
CC(=CCOC1=CC(=O)OC2=C1C=C3C=COC3=C2OC)C |
300.3 |
53398727 |
NPC89591 |
| (2S)-2,6-dimethyl-2-(4-methylpent-3-enyl)pyrano[3,2-c]quinolin-5-one |
CC(=CCC[C@]1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)C |
309.4 |
162884484 |
NPC167539 |
| 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)OC |
492.4 |
162843221 |
NPC225680 |
| WEEGYLXZBRQIMU-WAAGHKOSSA-N |
c1c(cc(c(c1O)O)O)[C@@H]1[C@@H](Cc2c(cc(c([C@H]3c4c(cc(c([C@H]5c6c(cc(c([C@H]7c8c(cc(c([C@H]9c%10c(cc(cc%10O[C@H](c%10cc(c(c(c%10)O)O)O)[C@@H]9OC(=O)c9cc(c(c(c9)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@@H](CO)O9)O)O)O)O)c8O[C@H](c8cc(c(c(c8)O)O)O)[C@H]7O)O)O)c6O[C@H](c6cc(c(c(c6)O)O)O)[C@H]5O)O)O)c4O[C@H](c4cc(c(c(c4)O)O)O)[C@@H]3OC(=O)c3cc(c(c(c3)O)O)O)O)O)c2O1)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
2141.742 |
NA |
NPC302939 |