> Alkaloids and derivatives
|
Anabasine
|
205586 |
Click to see
C1CCNC(C1)C2=CN=CC=C2
|
162.23 |
unknown |
https://doi.org/10.1021/JO00934A008 |
> Benzenoids / Phenols / Methoxyphenols
|
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
5318045 |
Click to see
CCC=CCCOC1C(C(C(C(O1)CO)O)O)O
|
262.30 |
unknown |
via CMAUP database |
methyl 4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
|
10564679 |
Click to see
COC(=O)CCCOC1C(C(C(C(O1)CO)O)O)O
|
280.27 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Menthiafolic acid, (S)-
|
10845194 |
Click to see
CC(=CCCC(C)(C=C)O)C(=O)O
|
184.23 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
Carvacrol
|
10364 |
Click to see
CC1=C(C=C(C=C1)C(C)C)O
|
150.22 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(-)-trans-Carveol
|
94221 |
Click to see
CC1=CCC(CC1O)C(=C)C
|
152.23 |
unknown |
via CMAUP database |
(+)-alpha-Phellandrene
|
443160 |
Click to see
CC1=CCC(C=C1)C(C)C
|
136.23 |
unknown |
via CMAUP database |
(+)-Dihydrocarvone
|
22227 |
Click to see
CC1CCC(CC1=O)C(=C)C
|
152.23 |
unknown |
via CMAUP database |
(1S,2S,4R)-iso-dihydrocarveol
|
443165 |
Click to see
CC1CCC(CC1O)C(=C)C
|
154.25 |
unknown |
via CMAUP database |
(1S,4S)-Dihydrocarvone
|
443183 |
Click to see
CC1CCC(CC1=O)C(=C)C
|
152.23 |
unknown |
via CMAUP database |
(2S,5S)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohexan-1-one
|
10867057 |
Click to see
CC1CCC(CC1=O)C(C)(CO)O
|
186.25 |
unknown |
via CMAUP database |
(4s,8r)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
|
11830092 |
Click to see
CC1=CCC(CC1=O)C(C)(CO)O
|
184.23 |
unknown |
via CMAUP database |
(5S)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohex-2-en-1-one
|
10877793 |
Click to see
CC1=CCC(CC1=O)C(C)(CO)O
|
184.23 |
unknown |
via CMAUP database |
alpha-Terpinene
|
7462 |
Click to see
CC1=CC=C(CC1)C(C)C
|
136.23 |
unknown |
via CMAUP database |
Carvone, (-)-
|
439570 |
Click to see
CC1=CCC(CC1=O)C(=C)C
|
150.22 |
unknown |
via CMAUP database |
Carvone, (+)-
|
16724 |
Click to see
CC1=CCC(CC1=O)C(=C)C
|
150.22 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
|
101338767 |
Click to see
CC1=CC(CC(C1C=CC(C)O)(C)C)O
|
210.31 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
(1S,2R,4R,8R)-2-(beta-D-Glucopyranosyloxy)-p-menthane-8,9-diol
|
102021736 |
Click to see
CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O
|
350.40 |
unknown |
via CMAUP database |
(1S,2R,4R,8S)-2-(beta-D-Glucopyranosyloxy)-p-menthane-8,9-diol
|
11727818 |
Click to see
CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O
|
350.40 |
unknown |
via CMAUP database |
(1S,2S,4R)-2-(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyloxy)-p-mentha-8-ene-1-ol
|
10885097 |
Click to see
CC(=C)C1CCC(C(C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)(C)O
|
464.50 |
unknown |
via CMAUP database |
(2R,3R,4S,5S,6R)-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
14729929 |
Click to see
CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC=C(C)CO
|
332.39 |
unknown |
via CMAUP database |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxyoxane-3,4,5-triol
|
11823766 |
Click to see
CC(=C)C1CCC(C(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)O
|
332.39 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[(1S,2S,5R)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
11810246 |
Click to see
CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(C)O)O
|
350.40 |
unknown |
via CMAUP database |
(2S,5S)-5-[(2S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2-methylcyclohexan-1-one
|
11089348 |
Click to see
CC1CCC(CC1=O)C(C)(COC2C(C(C(C(O2)CO)O)O)O)O
|
348.39 |
unknown |
via CMAUP database |
(5S)-5-[(2S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2-methylcyclohex-2-en-1-one
|
11024434 |
Click to see
CC1=CCC(CC1=O)C(C)(COC2C(C(C(C(O2)CO)O)O)O)O
|
346.37 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
Umbelliprenin
|
1781413 |
Click to see
CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C
|
366.50 |
unknown |
via CMAUP database |
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
|
5-Methyluridine
|
445408 |
Click to see
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
|
258.23 |
unknown |
via CMAUP database |
Uridine
|
6029 |
Click to see
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
|
244.20 |
unknown |
via CMAUP database |
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides / Pyrimidine 2-deoxyribonucleosides
|
Thymidine
|
5789 |
Click to see
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
|
242.23 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
Chlorogenic Acid
|
1794427 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
|
(2R,3R,4S)-pentane-1,2,3,4-tetrol
|
10796790 |
Click to see
CC(C(C(CO)O)O)O
|
136.15 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
|
5-Deoxy-D-ribitol
|
166761 |
Click to see
CC(C(C(CO)O)O)O
|
136.15 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S,4R)-2-hydroxy-1-methyl-4-prop-1-en-2-ylcyclohexyl]oxyoxane-3,4,5-triol
|
11099619 |
Click to see
CC(=C)C1CCC(C(C1)O)(C)OC2C(C(C(C(O2)CO)O)O)O
|
332.39 |
unknown |
via CMAUP database |
4-Hydroxybenzyl beta-d-glucopyranoside
|
49871127 |
Click to see
C1=CC(=CC=C1COC2C(C(C(C(O2)CO)O)O)O)O
|
286.28 |
unknown |
via CMAUP database |
Benzyl beta-d-glucopyranoside
|
188977 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
|
270.28 |
unknown |
via CMAUP database |
ethyl beta-D-glucopyranoside
|
121667 |
Click to see
CCOC1C(C(C(C(O1)CO)O)O)O
|
208.21 |
unknown |
via CMAUP database |
glycerol 2-O-alpha-l-fucopyranoside
|
101159096 |
Click to see
CC1C(C(C(C(O1)OC(CO)CO)O)O)O
|
238.23 |
unknown |
via CMAUP database |
Icariside F2
|
14079045 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
|
402.40 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-methoxy-5-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
|
15714546 |
Click to see
COC1=C(C(=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
504.50 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[4-[(2S)-2,3-dihydroxypropyl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
102021738 |
Click to see
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)CC(CO)O
|
360.36 |
unknown |
via CMAUP database |
Eleutheroside B
|
5316860 |
Click to see
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
|
372.40 |
unknown |
via CMAUP database |
Gastrodin
|
115067 |
Click to see
C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
1-Deoxy-D-glucitol
|
10678630 |
Click to see
CC(C(C(C(CO)O)O)O)O
|
166.17 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
|
2-C-methyl-D-erythritol
|
11400799 |
Click to see
CC(CO)(C(CO)O)O
|
136.15 |
unknown |
via CMAUP database |
D-Threitol
|
169019 |
Click to see
C(C(C(CO)O)O)O
|
122.12 |
unknown |
via CMAUP database |
Erythritol
|
222285 |
Click to see
C(C(C(CO)O)O)O
|
122.12 |
unknown |
via CMAUP database |
Glycerin
|
753 |
Click to see
C(C(CO)O)O
|
92.09 |
unknown |
via CMAUP database |
L-Apiitol
|
10820745 |
Click to see
C(C(C(CO)(CO)O)O)O
|
152.15 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzodioxoles
|
Apiole
|
10659 |
Click to see
COC1=C2C(=C(C(=C1)CC=C)OC)OCO2
|
222.24 |
unknown |
via CMAUP database |
Dillapiol
|
10231 |
Click to see
COC1=C(C2=C(C=C1CC=C)OCO2)OC
|
222.24 |
unknown |
via CMAUP database |
Safrole
|
5144 |
Click to see
C=CCC1=CC2=C(C=C1)OCO2
|
162.18 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans
|
Anethofuran
|
126537 |
Click to see
CC1COC2C1CCC(=C2)C
|
152.23 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
|
161815 |
Click to see
C1C(C(OC1=O)CO)O
|
132.11 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Piperidines
|
(+)-Pelletierine
|
10313185 |
Click to see
CC(=O)CC1CCCCN1
|
141.21 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Tetrahydropyridines
|
Ammodendrine
|
442625 |
Click to see
CC(=O)N1CCCC(=C1)C2CCCCN2
|
208.30 |
unknown |
https://doi.org/10.1021/NP0580199 |
N-Acetylhystrine
|
93270 |
Click to see
CC(=O)N1CCCC(=C1)C2=NCCCC2
|
206.28 |
unknown |
https://doi.org/10.1021/NP0580199 |
N-methylammodendrine
|
11218329 |
Click to see
CC(=O)N1CCCC(=C1)C2CCCCN2C
|
222.33 |
unknown |
https://doi.org/10.1021/NP0580199 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
|
Bergapten
|
2355 |
Click to see
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
|
216.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
|
Esculetin
|
5281416 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)O)O
|
178.14 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Umbelliferone
|
5281426 |
Click to see
C1=CC(=CC2=C1C=CC(=O)O2)O
|
162.14 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
|
Graveolone
|
177751 |
Click to see
CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
|
244.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
|
Querciturone
|
5274585 |
Click to see
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
|
478.40 |
unknown |
via CMAUP database |