> Benzenoids / Phenol ethers
|
(2R)-2-[4-methyl-2-(2-methylpropoxy)phenyl]-2-(2-methylpropoxymethyl)oxirane
|
162919328 |
Click to see
CC1=CC(=C(C=C1)C2(CO2)COCC(C)C)OCC(C)C
|
292.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones
|
(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylprop-2-enoate
|
15828279 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate
|
85087497 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C=C(C)C
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-9-[(2S)-2-methylbutoxy]-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
|
163068063 |
Click to see
CCC(C)COC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(1S,3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
|
162940303 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-9-[(2S)-2-methylbutoxy]-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
|
162876248 |
Click to see
CCC(C)COC1C2C(CC(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate
|
78410193 |
Click to see
CC=C(C)C(=O)OC1C2C(CC(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C
|
344.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 2-methylprop-2-enoate
|
74481262 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C(=C)C)C(=C)C(=O)O2
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(5,8a-Dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbut-2-enoate
|
296217 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C=C(C)C)C(=C)C(=O)O2
|
344.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
|
101627355 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C=C(C)C)C(=C)C(=O)O2
|
344.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
1,5,8a-trimethyl-9-(2-methylbutoxy)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
|
163068062 |
Click to see
CCC(C)COC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
|
334.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
5,8a-Dimethyl-9-(2-methylbutoxy)-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
|
162876247 |
Click to see
CCC(C)COC1C2C(CC(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
6-O-Tiglorylbutyrylhelenalin
|
6442202 |
Click to see
CC=C(C)C(=O)OC1C2C(CC(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C
|
344.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
|
4364540 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Arnicolide D
|
182199 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Brevilin-A; 6-OAP; 6-O-Angeloylplenolin; 6OAngeloylplenolin
|
3483300 |
Click to see
CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Helenalin
|
23205 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Helenalin methacrylate
|
173069 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C(=C)C)C(=C)C(=O)O2
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Mexicanin I
|
93016 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Microhelenin C
|
5281483 |
Click to see
CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Plenolin
|
442294 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O
|
264.32 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Sample A of helenalin
|
52167 |
Click to see
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
|
262.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Senecioylplenolin
|
9997745 |
Click to see
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C=C(C)C
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(8-hydroxy-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-6-yl) acetate
|
13970261 |
Click to see
CC1C2CC3C(C(CC3(C)O)OC(=O)C)C(=C)CC2OC1=O
|
308.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
(8-Hydroxy-8-methyl-1,5-dimethylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-6-yl) acetate
|
13970259 |
Click to see
CC(=O)OC1CC(C2C1C(=C)CC3C(C2)C(=C)C(=O)O3)(C)O
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
[(1S,3aR,5aS,6S,8R,8aR,9aR)-8-hydroxy-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-6-yl] acetate
|
13970262 |
Click to see
CC1C2CC3C(C(CC3(C)O)OC(=O)C)C(=C)CC2OC1=O
|
308.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
[(3aR,5aS,6S,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-6-yl] acetate
|
13970260 |
Click to see
CC(=O)OC1CC(C2C1C(=C)CC3C(C2)C(=C)C(=O)O3)(C)O
|
306.40 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
|
Tricine
|
79784 |
Click to see
C(C(=O)O)NC(CO)(CO)CO
|
179.17 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(5,9-Dimethyl-13-methylidene-12-oxo-4,11-dioxatricyclo[8.3.0.03,5]tridec-8-en-7-yl) acetate
|
163019784 |
Click to see
CC1=CC(CC2(C(O2)CC3C1OC(=O)C3=C)C)OC(=O)C
|
292.33 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
[(1R,3S,5R,7R,8Z,10R)-5,9-dimethyl-13-methylidene-12-oxo-4,11-dioxatricyclo[8.3.0.03,5]tridec-8-en-7-yl] acetate
|
163019785 |
Click to see
CC1=CC(CC2(C(O2)CC3C1OC(=O)C3=C)C)OC(=O)C
|
292.33 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
4-[3-(3,5-Dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
|
73802098 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=C3C(C(OC3=C2)C4=C(C=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O
|
470.50 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
2-(3,4-Dimethylphenyl)-5-hydroxy-7-methylchromen-4-one
|
141184339 |
Click to see
CC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)C)O)C
|
280.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5-Hydroxy-2-(4-hydroxy-3-methylphenyl)-7-methylchromen-4-one
|
162888125 |
Click to see
CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C)O
|
282.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5,7-Dihydroxy-2-(4-hydroxy-3-methylphenyl)-4h-1-benzopyran-4-one
|
59360007 |
Click to see
CC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
284.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
2-(3,4-Dimethylphenyl)-3,5,7-trihydroxy-6-methoxychromen-4-one
|
163035725 |
Click to see
CC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)C
|
328.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
3,5,7-Trihydroxy-2-(3-hydroxy-4-methylphenyl)-6-methoxychromen-4-one
|
162940740 |
Click to see
CC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
3,5,7-Trihydroxy-2-(4-hydroxy-3-methylphenyl)-6-methoxychromen-4-one
|
162922517 |
Click to see
CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
3,5,7-Trihydroxy-2-(4-hydroxy-3-methylphenyl)chromen-4-one
|
20670066 |
Click to see
CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
3,5,7-Trihydroxy-6-methoxy-2-(4-methylphenyl)chromen-4-one
|
162881644 |
Click to see
CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
6-Methoxykaempferol
|
5377945 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Patuletin
|
5281678 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
|
332.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
14134315 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
|
494.40 |
unknown |
https://doi.org/10.1016/0305-1978(94)90012-4 |
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/10.1016/0305-1978(94)90012-4 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
Apigetrin
|
5280704 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0305-1978(94)90012-4 |
Luteolin 7-O-glucoside
|
5280637 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1016/0305-1978(94)90012-4 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
5-Hydroxy-2-(4-hydroxy-3-methylphenyl)-6-methoxy-7-methylchromen-4-one
|
162940395 |
Click to see
CC1=CC2=C(C(=O)C=C(O2)C3=CC(=C(C=C3)O)C)C(=C1OC)O
|
312.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-methylchromen-4-one
|
162968218 |
Click to see
CC1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)O)C(=C1OC)O
|
298.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5-Hydroxy-6-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
|
162948092 |
Click to see
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)C
|
296.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5,7-Dihydroxy-2-(4-hydroxy-3-methylphenyl)-6-methoxychromen-4-one
|
162970547 |
Click to see
CC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
5,7-Dihydroxy-6-methoxy-2-(4-methylphenyl)chromen-4-one
|
162876810 |
Click to see
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
|
298.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Eupafolin
|
5317284 |
Click to see
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
Hispidulin
|
5281628 |
Click to see
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)83030-9 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Pilloin
|
5320496 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |
Salvigenin
|
161271 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
|
328.30 |
unknown |
https://doi.org/10.1016/0031-9422(88)80605-8 |