> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
Verbenalin
|
73467 |
Click to see
CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
|
388.40 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde
|
162867393 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C=O
|
440.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde
|
14423519 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C=O
|
440.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
(3S,4aR,6aR,6aR,6bR,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
15560344 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
5320146 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
19Alpha-Hydroxyasiatic Acid
|
490367 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O
|
504.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
2,3,24-Trihydroxy-12-ursen-28-oic acid
|
296191 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
23-Hydroxytormenticacid
|
14055735 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O
|
504.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
610148 |
Click to see
CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
|
426.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
|
317607 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O
|
440.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
2371 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Arjunolic acid
|
73641 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Asiatic Acid
|
119034 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
beta-Ursolic acid
|
220774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Betulinaldehyde
|
99615 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O
|
440.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Jacarandic acid
|
13653335 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Tormentic acid
|
73193 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O
|
488.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1007/S10600-010-9550-4 |
Ursolic acid acetate
|
6475119 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
|
498.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinoxalines / Phenazines and derivatives
|
6-(Hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid
|
120266 |
Click to see
COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)CO
|
284.27 |
unknown |
via CMAUP database |
Pelagiomicin A
|
3075266 |
Click to see
CC(C)(C(C(=O)OCC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)N)O
|
399.40 |
unknown |
via CMAUP database |
Pelagiomicin B
|
21773911 |
Click to see
CC(C)C(C(=O)OCC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)N
|
383.40 |
unknown |
via CMAUP database |
Pelagiomicin C
|
9949857 |
Click to see
COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)COC(=O)CN
|
341.32 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
(+)-Gallocatechin-(4alpha->6)-(+)-catechin
|
72193636 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(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
|
594.50 |
unknown |
via CMAUP database |
(+)-Gallocatechin-(4alpha->8)-(+)-catechin
|
13831063 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
594.50 |
unknown |
via CMAUP database |
Procyanidin B1
|
11250133 |
Click to see
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
|
578.50 |
unknown |
via CMAUP database |
Procyanidin B3
|
146798 |
Click to see
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
|
578.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95090-8 |
Prodelphinidin B3
|
13831068 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
Prodelphinidin C2
|
71623698 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C(=C7)O)O)O)O)C8=CC(=C(C(=C8)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
898.80 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95090-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
|
(+)-Catechin gallate
|
5276454 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
442.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
|
Gallocatechin
|
65084 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
|
306.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95090-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
12047524 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
129010103 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
|
464.40 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
Afzelin
|
5316673 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271916/ |
Astragalin
|
5282102 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |
Kaempferol-3-O-rhamnoside
|
5835713 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271916/ |
Quercetin 3-O-(6''-galloyl)-beta-D-galactopyranoside
|
5491814 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
|
616.50 |
unknown |
via CMAUP database |
Quercetin 3-O-beta-D-arabinofuranoside
|
5320668 |
Click to see
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
|
434.30 |
unknown |
via CMAUP database |
Quercitrin
|
5280459 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Tannins
|
beta-Glucogallin
|
124021 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O
|
332.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95090-8 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
7-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-14-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
|
162880824 |
Click to see
COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC5C(C(C(O5)CO)O)O)OC)C(=O)O2)O
|
462.40 |
unknown |
https://doi.org/10.1016/J.PHYMED.2006.09.006 |