| Betaine |
C[N+](C)(C)CC(=O)[O-] |
117.15 |
247 |
NPC59650 |
| Caffeine |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
194.19 |
2519 |
NPC256849 |
| 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 |
| Retene |
CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C |
234.3 |
10222 |
NPC219945 |
| Abietic acid |
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C |
302.5 |
10569 |
NPC309399 |
| Sterculic acid |
CCCCCCCCC1=C(C1)CCCCCCCC(=O)O |
294.5 |
12921 |
NPC87394 |
| 1-Octacosanol |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
410.8 |
68406 |
NPC185538 |
| Beta-Amyrin |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
426.7 |
73145 |
NPC290598 |
| Pinobanksin |
C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
272.25 |
73202 |
NPC4152 |
| beta-Amyrin acetate |
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
468.8 |
92156 |
NPC195334 |
| Lupenone |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
424.7 |
92158 |
NPC43300 |
| Dehydroabietic acid |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C |
300.4 |
94391 |
NPC128248 |
| Betaine aspartate |
C[N+](C)(C)CC(=O)O.C(C(C(=O)[O-])N)C(=O)O |
250.25 |
104358 |
NPC193154 |
| Pimaric acid |
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C |
302.5 |
220338 |
NPC283908 |
| Levopimaric acid |
CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C |
302.5 |
221062 |
NPC109854 |
| Neoabietic acid |
CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C |
302.5 |
221118 |
NPC83831 |
| 3-Hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
374.4 |
321311 |
NPC253722 |
| Nortrachelogenin |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
374.4 |
394846 |
NPC33090 |
| Limonene, (-)- |
CC1=CCC(CC1)C(=C)C |
136.23 |
439250 |
NPC190810 |
| alpha-Fenchol |
CC1(C2CCC(C2)(C1O)C)C |
154.25 |
439711 |
NPC100362 |
| Limonene, (+)- |
CC1=CCC(CC1)C(=C)C |
136.23 |
440917 |
NPC76145 |
| Isopimaric acid |
CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C |
302.5 |
442048 |
NPC279666 |
| (+)-alpha-Terpineol |
CC1=CCC(CC1)C(C)(C)O |
154.25 |
442501 |
NPC27184 |
| Palustric acid |
CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C |
302.5 |
443613 |
NPC52691 |
| (+)-Nortrachelogenin |
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O |
374.4 |
479756 |
NPC253481 |
| (+)-Longifolene |
CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
204.35 |
1796220 |
NPC229403 |
| 3-Amino-4-hydroxy-4-oxobutanoate |
C(C(C(=O)O)N)C(=O)[O-] |
132.09 |
4083066 |
NPC313851 |
| 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 |
| Pinosylvin methyl ether |
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2 |
226.27 |
5281719 |
NPC94045 |
| [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O |
434.4 |
5315597 |
NPC1363 |
| 3,5-Dimethoxystilbene |
COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC |
240.3 |
5316874 |
NPC35543 |
| (3aR,5bR,11aR,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
424.7 |
5319104 |
NPC324467 |
| Stevenin |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O |
284.26 |
5321501 |
NPC31898 |
| Propoxyphene, (R,R)- |
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C |
339.5 |
6093219 |
NPC316375 |
| Borneol |
CC1(C2CCC1(C(C2)O)C)C |
154.25 |
6552009 |
NPC283655 |
| (2R,2'R,4beta)-3,3',4,4'-Tetrahydro-2alpha,2'alpha-bis(3,4-dihydroxyphenyl)-4'beta-(benzylthio)-4,8'-bi(2H-1-benzopyran)-3alpha,3'alpha,5,5',7,7'-hexol |
C1=CC=C(C=C1)CSC2C(C(OC3=C(C(=CC(=C23)O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O |
700.7 |
10372558 |
NPC203108 |
| Acetic acid oleana-12-ene-3alpha-yl ester |
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
468.8 |
10552249 |
NPC76219 |
| (4S)-Epicatechin benzylthioether |
C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O |
412.5 |
10645351 |
NPC177228 |
| firmianone B |
CC1=CC2C3=C(C4=CC=CC=C4C(=C3C5(C6=C(C(=CC=C6)O)C(=O)C2(C5(C1)O)C=CC(C)(C)O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
662.7 |
11664666 |
NPC482483 |
| firmianone A |
CC1=CC2C3=C(C4=CC=CC=C4C(=C3C5(C6=CC=CC=C6C(=O)C2(C5(C1)O)C=CC(C)(C)O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
646.7 |
11671875 |
NPC482482 |
| Dextropimarinal |
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C=O)C)C=C |
286.5 |
12304198 |
NPC157403 |
| Isopimara-7,15-dienal |
CC1(CCC2C(=CCC3C2(CCCC3(C)C=O)C)C1)C=C |
286.5 |
12311183 |
NPC243591 |
| beta-Amyrine |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
426.7 |
15942855 |
NPC836 |
| (3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one |
CC(C)C1=C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC1)C)C)C)(C)C)C |
424.7 |
17751023 |
NPC266441 |
| 2-acetyloxybenzoic acid;[(2R,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;1,3,7-trimethylpurine-2,6-dione;hydrochloride |
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl |
750.3 |
24847964 |
NPC112367 |
| Monogynol B (6CI) |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
426.7 |
44586882 |
NPC265800 |
| (1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@H]3CC2)(C)C(=O)O)C |
302.5 |
92166187 |
NPC270818 |
| (1S,2R,5R,7R,10R,11R)-2,11-dimethyl-5-propan-2-yl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecan-16-one |
CC(C)[C@@H]1CC[C@@]2([C@@H](C1)CC[C@H]3[C@@]24CCC[C@]3(C(=O)O4)C)C |
304.5 |
162959299 |
NPC231730 |