> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
3-Methoxysalicylic acid
|
70140 |
Click to see
COC1=CC=CC(=C1O)C(=O)O
|
168.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
|
p-Anisic acid
|
7478 |
Click to see
COC1=CC=C(C=C1)C(=O)O
|
152.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
|
2,3-Dihydroxybenzoic acid
|
19 |
Click to see
C1=CC(=C(C(=C1)O)O)C(=O)O
|
154.12 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
|
Hydron;phenoxide
|
20488062 |
Click to see
[H+].C1=CC=C(C=C1)[O-]
|
94.11 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / Methoxyphenols
|
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
via CMAUP database |
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
via CMAUP database |
Palmitoleic Acid
|
445638 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
via CMAUP database |
Stearic Acid
|
5281 |
Click to see
CCCCCCCCCCCCCCCCCC(=O)O
|
284.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
Behenic Acid
|
8215 |
Click to see
CCCCCCCCCCCCCCCCCCCCCC(=O)O
|
340.60 |
unknown |
via CMAUP database |
Hexacosanoic acid
|
10469 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
|
396.70 |
unknown |
via CMAUP database |
Lignoceric Acid
|
11197 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
|
368.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(2S,4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
|
13996029 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C)C)O)C
|
286.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydronaphthalen-1-one
|
101717490 |
Click to see
CC1CC(=O)C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C
|
318.40 |
unknown |
via CMAUP database |
Rotundifuran
|
9841926 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C
|
362.50 |
unknown |
via CMAUP database |
Vitetrifolin B
|
15543011 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C
|
362.50 |
unknown |
via CMAUP database |
Vitetrifolin C
|
15543012 |
Click to see
CC1C(C=C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C
|
360.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-alpha-Terpineol
|
442501 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
via CMAUP database |
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl acetate
|
93317 |
Click to see
CC1=CCC(CC1)C(C)(C)OC(=O)C
|
196.29 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
|
gamma-Tocopherol
|
92729 |
Click to see
CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
|
416.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
Taraxerone
|
92785 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
|
424.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
((1R,4aS,5R,7aR)-5-hydroxy-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl 4-hydroxybenzoate
|
51346123 |
Click to see
C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
466.40 |
unknown |
via CMAUP database |
6'-O-p-Hydroxybenzoylmussaenosidic acid
|
23955877 |
Click to see
CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O
|
496.50 |
unknown |
via CMAUP database |
Mussaenosidic acid
|
21633105 |
Click to see
CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
376.36 |
unknown |
via CMAUP database |
Negundoside
|
9935561 |
Click to see
CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O
|
496.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
|
[(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
|
10022565 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=CCOC3=O)O)C)(C)C)OC(=O)C
|
378.50 |
unknown |
via CMAUP database |
3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
|
102105798 |
Click to see
CC1CCC2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C
|
320.50 |
unknown |
via CMAUP database |
Previtexilactone
|
21636179 |
Click to see
CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)OC(=O)C
|
378.50 |
unknown |
via CMAUP database |
Vitexilactone
|
21636178 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C
|
378.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
3Alpha-Hydroxyurs-12-En-28-Oic Acid
|
7163177 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
Corosolic acid
|
6918774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O
|
472.70 |
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 |
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 |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
(2E)-2-[(4aS,5R,7R,8R,8aS)-5-acetyloxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-ylidene]acetic acid
|
101357917 |
Click to see
CC1CC(C2C(CCCC2(C13CCC(=CC(=O)O)O3)C)(C)C)OC(=O)C
|
364.50 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones
|
Primin
|
84800 |
Click to see
CCCCCC1=CC(=O)C=C(C1=O)OC
|
208.25 |
unknown |
https://doi.org/10.1034/J.1600-0536.2000.042003149.X |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
Isoambreinolide
|
15559824 |
Click to see
CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C
|
264.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Tetrahydrofurans
|
Vitex norditerpenoid 1
|
11208535 |
Click to see
CC1CCC2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C
|
290.40 |
unknown |
via CMAUP database |
Vitex norditerpenoid 2
|
11462191 |
Click to see
CC1CC(C2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C)OC(=O)C
|
348.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Luteolin
|
5280445 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
Vitexin
|
5280441 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
102321609 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(CO6)O)O)O)O)O)O)O)O
|
726.60 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.04.019 |
3-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
162880738 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(CO6)O)O)O)O)O)O)O)O
|
726.60 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.04.019 |
Kaempferol 3-neohesperidoside
|
5318761 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.04.019 |
Kaempferol-3-O-glucorhamnoside
|
13915496 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1016/J.PHYTOCHEM.2007.04.019 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone
|
5379563 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
|
374.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Artemetin
|
5320351 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC
|
388.40 |
unknown |
via CMAUP database |
Casticin
|
5315263 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
|
374.30 |
unknown |
via CMAUP database |
chrysoplenol D
|
5280699 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC
|
360.30 |
unknown |
via CMAUP database |