> Alkaloids and derivatives / Tropane alkaloids
|
3alpha,6beta-Dihydroxytropane
|
13855897 |
Click to see
CN1C2CC(CC1C(C2)O)O
|
157.21 |
unknown |
https://doi.org/10.1021/NP990038T |
> Benzenoids / Benzene and substituted derivatives / Cumenes
|
2-Isopropyl-4-methylphenol
|
78153 |
Click to see
CC1=CC(=C(C=C1)O)C(C)C
|
150.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)81897-X |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 3-methylbutanoate
|
162860621 |
Click to see
CC1CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
378.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(2R,4R,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate
|
71812280 |
Click to see
CC1CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
378.40 |
unknown |
https://doi.org/10.1021/NP990038T |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 3-methylbutanoate
|
595024 |
Click to see
CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
376.40 |
unknown |
https://doi.org/10.1021/NP990038T |
Lobatin B
|
6440752 |
Click to see
CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
376.40 |
unknown |
https://doi.org/10.1021/NP990038T |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylpropanoate
|
73817342 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)C(C)C)OC(=O)C)(C)O
|
408.40 |
unknown |
https://doi.org/10.1021/NP990038T |
(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate
|
163027993 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)OC(=O)C)(C)O
|
422.50 |
unknown |
https://doi.org/10.1021/NP990038T |
(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylpropanoate
|
162971896 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)C(C)C)C(=C)C(=O)O2
|
366.40 |
unknown |
https://doi.org/10.1021/NP990038T |
(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate
|
163063107 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-4,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate
|
70697911 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)CC(C)C)O)C(=C)C(=O)O2
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate
|
162888557 |
Click to see
CCC(C)C(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)C)OC(=O)C2=C
|
422.50 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
162900828 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)C(C)C)C(=C)C(=O)O2
|
408.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
162918016 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2
|
422.50 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
162971897 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)C(C)C)C(=C)C(=O)O2
|
366.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
163063108 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,9E,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
162907381 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)C(C)C)OC(=O)C)(C)O
|
408.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aR,4S,5R,6R,9E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
163106145 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)O)(C)O
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4R,6R,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
10406463 |
Click to see
CC1CC2C(C(CC(C(=O)C=C1)(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
364.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,8Z,10R,11aR)-4,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate
|
101921667 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)CC(C)C)O)C(=C)C(=O)O2
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
|
100963995 |
Click to see
CCC(C)C(=O)OC1C2C(CC(C=CC(=O)C(C1OC(=O)C)(C)O)C)OC(=O)C2=C
|
422.50 |
unknown |
https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
100963994 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)C(C)C)C(=C)C(=O)O2
|
408.40 |
unknown |
https://doi.org/10.1021/NP990038T https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
10454918 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2
|
422.50 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
163190205 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)C(C)C)C(=C)C(=O)O2
|
366.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
70697907 |
Click to see
CC1CC2C(C(C(C(C(=O)C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2
|
380.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,9E,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-5-yl] acetate
|
101035411 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OCC(C)C)OC(=O)C)(C)O
|
394.50 |
unknown |
https://doi.org/10.1016/0031-9422(94)00863-O |
[(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
162907380 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)C(C)C)OC(=O)C)(C)O
|
408.40 |
unknown |
https://doi.org/10.1021/NP990038T |
[(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate
|
101921669 |
Click to see
CC1=CCC(=O)C(C(C(C2C(C1)OC(=O)C2=C)OC(=O)CC(C)C)OC(=O)C)(C)O
|
422.50 |
unknown |
https://doi.org/10.1021/NP990038T |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
(10-Acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 3-methylbutanoate
|
162965914 |
Click to see
CC1CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2
|
420.50 |
unknown |
https://doi.org/10.1021/NP990038T |
[(2R,4R,8S,9S,10R,11R)-10-acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate
|
101035409 |
Click to see
CC1CC2C(C(C(C3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2
|
420.50 |
unknown |
https://doi.org/10.1021/NP990038T |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
162855828 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
508.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
53463177 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
508.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
163038590 |
Click to see
COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
74978449 |
Click to see
COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
5462193 |
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/S0031-9422(00)83809-1 |
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/S0031-9422(00)83809-1 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
21599446 |
Click to see
COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
|
494.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
73812467 |
Click to see
COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
|
494.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
163070633 |
Click to see
COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
5,6-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
74978450 |
Click to see
COC1=C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Patuletin 7-glucoside
|
14157911 |
Click to see
COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
494.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Patulitrin
|
5320435 |
Click to see
COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
494.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Quercetagetin 7-glucoside
|
12314844 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O
|
480.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Quercetagitrin
|
5320826 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O
|
480.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
3-Methoxyluteolin
|
5280681 |
Click to see
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
5,6,7,4'-Tetrahydroxy-3-methoxyflavone
|
11834044 |
Click to see
COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O
|
316.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Batatifolin
|
5320181 |
Click to see
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
|
316.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
|
Axillarin
|
5281603 |
Click to see
COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
|
346.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
5,6,4'-Trihydroxy-3,7-dimethoxyflavone
|
13983730 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
|
330.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |
Tomentin
|
148856 |
Click to see
COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O
|
346.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83809-1 |