> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
|
1,3,5-Trihydroxy-7-methyl-2-(1,3,5-trihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)anthracene-9,10-dione
|
54752972 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=CC(=C(C(=C3C2=O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O)O
|
538.50 |
unknown |
via CMAUP database |
1,4,7-Trihydroxy-2-methoxy-6-methylanthracene-9,10-dione
|
54752971 |
Click to see
CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=CC(=C3O)OC)O
|
300.26 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
Methyl gallate
|
7428 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)O)O
|
184.15 |
unknown |
https://doi.org/10.1021/NP020048L |
> Benzenoids / Benzene and substituted derivatives / Butyrophenones
|
(5aS)-2,2,4,4-Tetramethyl-5abeta-isopropyl-7-(3-methylbutanoyl)-8,10-dihydroxy-1,2,3,4,5a,10bbeta-hexahydrobenzofuro[2,3-b]benzofuran-1,3-dione
|
102521923 |
Click to see
CC(C)CC(=O)C1=C(C=C(C2=C1OC3(C2C4=C(O3)C(C(=O)C(C4=O)(C)C)(C)C)C(C)C)O)O
|
456.50 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Dibenzylbutane lignans
|
9,9'-Di-O-(E)-feruloylsecoisolariciresinol
|
10439806 |
Click to see
COC1=C(C=CC(=C1)CC(COC(=O)C=CC2=CC(=C(C=C2)O)OC)C(CC3=CC(=C(C=C3)O)OC)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O
|
714.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Hopanoids
|
(21R)-Hopa-22(29)-ene-3beta,30-diol
|
102032092 |
Click to see
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5C4(CCC5C(=C)CO)C)C)C)C
|
442.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
|
Alpha-Tocopherol
|
14985 |
Click to see
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
|
430.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
Taraxerol
|
92097 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
|
426.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
11876093 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
10836206 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
7061300 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
via CMAUP database |
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-yl] acetate
|
479957 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)CO
|
484.80 |
unknown |
via CMAUP database |
11-Oxo-beta-amyrin
|
20055661 |
Click to see
CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
440.70 |
unknown |
via CMAUP database |
3-O-p-Coumaroyloleanolic acid
|
10579517 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1)C)C(=O)O)C
|
602.80 |
unknown |
via CMAUP database |
3beta-Acetoxy-11alpha,12alpha-epoxyoleanan-28,13beta-olide
|
21626351 |
Click to see
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C4C(O4)C56C3(CCC7(C5CC(CC7)(C)C)C(=O)O6)C)C)C
|
512.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Betulin
|
72326 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
via CMAUP database |
Betulonic acid
|
122844 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O
|
454.70 |
unknown |
via CMAUP database |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
via CMAUP database |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
via CMAUP database |
methyl (1S,2R,4aS,6aR,6aS,6bR,8aS,10R,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-carboxylate
|
40884490 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OC
|
470.70 |
unknown |
via CMAUP database |
Methyl betulonate
|
10766700 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)OC
|
468.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Stigmast-4-en-3-one
|
5484202 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
|
8aalpha-Hydroxy-3,3,6,6,8,8-hexamethyl-3,8a-dihydro-1,2-benzodioxin-5,7(6H,8H)-dione
|
44281346 |
Click to see
CC1(C=C2C(=O)C(C(=O)C(C2(OO1)O)(C)C)(C)C)C
|
268.30 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
3,5-Dihydroxy-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester
|
5317705 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)OC2C(C(C(C(O2)CO)O)O)O)O
|
346.29 |
unknown |
https://doi.org/10.1021/NP020048L |
Methyl 3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
73981597 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)OC2C(C(C(C(O2)CO)O)O)O)O
|
346.29 |
unknown |
https://doi.org/10.1021/NP020048L |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthenes
|
(9R)-2,2,4,4-Tetramethyl-5-(3-methylbutanoyl)-9beta-isobutyl-6,8-dihydroxy-1,2,3,4-tetrahydro-9H-xanthene-1,3-dione
|
102521922 |
Click to see
CC(C)CC1C2=C(C(=C(C=C2O)O)C(=O)CC(C)C)OC3=C1C(=O)C(C(=O)C3(C)C)(C)C
|
442.50 |
unknown |
via CMAUP database |
(9S)-6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
|
26202536 |
Click to see
CC(C)CC1C2=C(C=C(C(=C2O)C(=O)CC(C)C)O)OC3=C1C(=O)C(C(=O)C3(C)C)(C)C
|
442.50 |
unknown |
via CMAUP database |
Rhodomyrtone
|
12050020 |
Click to see
CC(C)CC1C2=C(C=C(C(=C2O)C(=O)CC(C)C)O)OC3=C1C(=O)C(C(=O)C3(C)C)(C)C
|
442.50 |
unknown |
via CMAUP database |
Tomentosone A
|
56929124 |
Click to see
CC(C)CC1C2=C(C(=C3C(=C2OC4=C1C(=O)C(C(=O)C4(C)C)(C)C)C5C6=C(C(C(=O)C(C6=O)(C)C)(C)C)OC5(O3)C(C)C)C(=O)CC(C)C)O
|
688.80 |
unknown |
via CMAUP database |
Tomentosone B
|
56929125 |
Click to see
CC(C)CC1C2=C(C(=C3C(=C2OC4=C1C(=O)C(C(=O)C4(C)C)(C)C)C5C6=C(C(C(=O)C(C6=O)(C)C)(C)C)OC5(O3)C(C)C)C(=O)CC(C)C)O
|
688.80 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
|
3-(4-Hydroxyphenyl)acrylic acid triacontyl ester
|
14213589 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=C(C=C1)O
|
585.00 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Diarylheptanoids / Cyclic diarylheptanoids / Meta,meta-bridged biphenyls
|
(8R,12R)-3,8,12,17-tetrahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
101203823 |
Click to see
C1CC(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC1O)O)O
|
328.40 |
unknown |
https://doi.org/10.1021/NP020048L |
3,8,11,12,17-Pentahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
22297753 |
Click to see
C1C(C(CC(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1021/NP020048L |
3,8,12,17-Tetrahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
|
495066 |
Click to see
C1CC(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC1O)O)O
|
328.40 |
unknown |
https://doi.org/10.1021/NP020048L |
Carpinontriol A
|
637439 |
Click to see
C1C(C(CC(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1021/NP020048L |
carpinontriol B
|
11035325 |
Click to see
C1CC(=O)C(C(C(CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1021/NP020048L |
Casuarinondiol
|
14704507 |
Click to see
C1CC(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC1O)O)O
|
328.40 |
unknown |
https://doi.org/10.1021/NP020048L |
Giffonin T
|
132487818 |
Click to see
C1CC(=O)C(C(C(CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O)O
|
344.40 |
unknown |
https://doi.org/10.1021/NP020048L |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
1203 |
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/10.1021/NP020048L |
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/10.1021/NP020048L |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Combretol
|
12303802 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O
|
388.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
[6-(2,3-Dihydroxy-5-methoxycarbonylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
14428078 |
Click to see
COC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O
|
498.40 |
unknown |
https://doi.org/10.1021/NP020048L |
2,3,8-Tri-O-methylellagic acid
|
5281860 |
Click to see
COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)OC
|
344.30 |
unknown |
via CMAUP database |
3-[(6-O-Galloyl-beta-D-glucopyranosyl)oxy]-4,5-dihydroxybenzoic acid methyl ester
|
10097402 |
Click to see
COC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O
|
498.40 |
unknown |
https://doi.org/10.1021/NP020048L |
beta-Pedunculagin
|
5320441 |
Click to see
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
784.50 |
unknown |
via CMAUP database |
longipedumin A
|
11635141 |
Click to see
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C=CC5=CC=CC=C5)OCO4)OC)O)OC)OC
|
532.60 |
unknown |
https://doi.org/10.1021/NP020048L |
methyl 3-O-beta-glucopyranosyl-gallate
|
14425702 |
Click to see
COC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O
|
346.29 |
unknown |
https://doi.org/10.1021/NP020048L |