> Benzenoids / Naphthalenes / Naphthols and derivatives
|
4-Hydroxy-5,6-dimethoxy-2-naphthaldehyde
|
102049519 |
Click to see
COC1=C(C2=C(C=C(C=C2C=C1)C=O)O)OC
|
232.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
> Benzenoids / Naphthalenes / Naphthoquinones
|
5-Hydroxy-7-methyl-tetralin-1,4-dione
|
16072923 |
Click to see
CC1=CC2=C(C(=O)CCC2=O)C(=C1)O
|
190.19 |
unknown |
https://doi.org/10.1021/JF60218A018 |
7-Methyljuglone
|
26905 |
Click to see
CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O
|
188.18 |
unknown |
https://doi.org/10.1021/JF60218A018 https://doi.org/10.1016/S0031-9422(97)01020-0 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
Diospyrin
|
308140 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C=CC4=O)O
|
374.30 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1021/JF60218A018 |
Isodiospyrin
|
99298 |
Click to see
CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O
|
374.30 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1039/J39680002279 https://doi.org/10.1021/JF60218A018 |
> Benzenoids / Tetralins
|
(4R)-4,8-dihydroxy-6-methyl-tetralin-1-one
|
5273357 |
Click to see
CC1=CC2=C(C(=O)CCC2O)C(=C1)O
|
192.21 |
unknown |
https://doi.org/10.1016/S0031-9422(97)01020-0 |
(R)-Shinanolone
|
12315505 |
Click to see
CC1=CC2=C(C(=O)CCC2O)C(=C1)O
|
192.21 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1021/JF60218A018 |
4S-Shinanolone
|
11412869 |
Click to see
CC1=CC2=C(C(=O)CCC2O)C(=C1)O
|
192.21 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
Isoshinanolone
|
443777 |
Click to see
CC1CC(=O)C2=C(C1O)C=CC=C2O
|
192.21 |
unknown |
https://doi.org/10.1021/JF60218A018 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(11-Hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) 3-(4-hydroxyphenyl)prop-2-enoate
|
163002369 |
Click to see
CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CC(C(C6(C)C)OC(=O)C=CC7=CC=C(C=C7)O)O)C)C)C)C
|
618.80 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(1R,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-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,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
44575983 |
Click to see
CC(=C)C1CCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
424.70 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one
|
131881663 |
Click to see
CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(1S,3aS,5aS,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
14414410 |
Click to see
CC(C)C1CCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
[(1R,4R,5R,8R,10R,11R,13R,14R,17R,18S,19R)-11-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
163002371 |
Click to see
CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CC(C(C6(C)C)OC(=O)C=CC7=CC=C(C=C7)O)O)C)C)C)C
|
618.80 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
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,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
163075771 |
Click to see
CC(=C)C1CCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
424.70 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
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 |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
Betulin
|
72326 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1016/S0031-9422(97)01020-0 |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
Friedelan-3-one
|
244297 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
Friedelin
|
91472 |
Click to see
CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
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/10.1016/J.PHYTOCHEM.2004.03.010 |
Lup-20(29)-ene-3beta,28-diol
|
221023 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
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/10.1016/J.PHYTOCHEM.2004.03.010 |
Olean-12-en-3beta-ol
|
225689 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
Oxyallobetulin
|
304256 |
Click to see
CC1(CCC23CCC4(C(C2C1OC3=O)CCC5C4(CCC6C5(CCC(C6(C)C)O)C)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3409591/ |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
162910040 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)OC)OC)OC)CO)O)O)O)O)O
|
492.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(2R,3S,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
163190880 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=CC(=C3)CO)C=CC=C4O)CO)O)O)O)O)O
|
498.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
163101384 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=CC(=C3)CO)C=CC=C4O)CO)O)O)O)O)O
|
498.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
163101383 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=CC(=C3)CO)C=CC=C4O)CO)O)O)O)O)O
|
498.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
162910041 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)OC)OC)OC)CO)O)O)O)O)O
|
492.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
2-[4,5-Dihydroxy-2-[8-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
73803971 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=CC(=C3)CO)C=CC=C4O)CO)O)O)O)O)O
|
498.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
73803970 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)OC)OC)OC)CO)O)O)O)O)O
|
492.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
6-O-acetyl-alpha-cyclodextrin
|
146683719 |
Click to see
CC(=O)OCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O
|
1014.90 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2004.03.010 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/JF60218A018 |