> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
|
(1R,2S)-1-(4-Methoxyphenyl)-1,2-propanediol
|
9799166 |
Click to see
CC(C(C1=CC=C(C=C1)OC)O)O
|
182.22 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
illioliganone C
|
44179781 |
Click to see
CC(C)(C(CC1(C=C2C(=CC1=O)OCO2)CC=C)O)O
|
280.32 |
unknown |
https://doi.org/10.1021/NP9001702 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
[(1S,2R,5R,6R,8R,10S,13S,14R)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.16,10.02,6]tetradecan-5-yl]methyl benzoate
|
163018844 |
Click to see
CC12COC3(C(C4(C1(CCC4COC(=O)C5=CC=CC=C5)O)CC(C2(CO)O)O3)O)OC
|
450.50 |
unknown |
https://doi.org/10.1021/NP9001702 |
[(1S,2R,5R,6S,8R,10S,13S,14R)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.16,10.02,6]tetradecan-5-yl]methyl benzoate
|
101481300 |
Click to see
CC12COC3(C(C4(C1(CCC4COC(=O)C5=CC=CC=C5)O)CC(C2(CO)O)O3)O)OC
|
450.50 |
unknown |
https://doi.org/10.1021/NP9001702 |
[(2R,5R,6R,8R,10S,13S,14R)-2,13,14-trihydroxy-13-(hydroxymethyl)-10-methoxy-1-methyl-9,11-dioxatetracyclo[6.4.1.16,10.02,6]tetradecan-5-yl]methyl benzoate
|
163187224 |
Click to see
CC12COC3(C(C4(C1(CCC4COC(=O)C5=CC=CC=C5)O)CC(C2(CO)O)O3)O)OC
|
450.50 |
unknown |
https://doi.org/10.1021/NP9001702 |
Oligandriortholactone
|
45271655 |
Click to see
CC12COC3(C(C4(C1(CCC4COC(=O)C5=CC=CC=C5)O)CC(C2(CO)O)O3)O)OC
|
450.50 |
unknown |
https://doi.org/10.1021/NP9001702 |
Oplodiol
|
12313756 |
Click to see
CC(C)C1=CCC2(C(CCC(C2C1)(C)O)O)C
|
238.37 |
unknown |
https://doi.org/10.1080/10286020.2015.1039524 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
Epitaraxerol
|
344467 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP9001702 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(1R,2R,5R,6S,10R,11R,14R)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione
|
45269136 |
Click to see
CC1CCC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O
|
312.31 |
unknown |
https://doi.org/10.1021/NP9001702 |
(1S,2R,4R,5R,6R,7S,8R,11R)-4,5,7,11-tetrahydroxy-7-(methoxymethyl)-2-methylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
|
25243172 |
Click to see
CC1CC(C2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O)O
|
358.34 |
unknown |
https://doi.org/10.1021/NP8004979 |
(1S,2R,4R,5R,6S,7R,8R,11S)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
|
44575426 |
Click to see
CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O
|
328.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
(1S,2R,5R,6S,10R,11S,14R)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione
|
21672428 |
Click to see
CC1CCC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O
|
312.31 |
unknown |
https://doi.org/10.1021/NP9001702 |
(1S,2S,3S,5R,6R,7R,8R,11R)-3,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
|
162973476 |
Click to see
CC1C(CC2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O
|
328.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
Anisatin
|
115121 |
Click to see
CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O
|
328.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
Veranisatin C
|
10643000 |
Click to see
CC1CC(C2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O)O
|
372.32 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
[(1R,5S,8S,9R,10S)-8-hydroxy-5,9,10-trimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]methyl acetate
|
25242811 |
Click to see
CC1C(C2(CCC3(C2(CC(=O)O1)CC(=O)O3)C)O)(C)COC(=O)C
|
340.40 |
unknown |
https://doi.org/10.1021/NP8004979 |
[(1S)-1-[(1R,5S,8S,9R)-8-hydroxy-5,9-dimethyl-3,12-dioxo-4,11-dioxatricyclo[6.5.0.01,5]tridecan-9-yl]ethyl] acetate
|
25243170 |
Click to see
CC(C1(COC(=O)CC23C1(CCC2(OC(=O)C3)C)O)C)OC(=O)C
|
340.40 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
illioliganone A
|
44179714 |
Click to see
CC1(C(CC2(C=C(C(=O)C1C2=O)CC=C)O)O)C
|
250.29 |
unknown |
https://doi.org/10.1021/NP9001702 |
> Organoheterocyclic compounds / Benzofurans
|
2,3-Dehydroillifunone
|
45267410 |
Click to see
CC(C)(C1CC2(C=C(C(=O)C=C2O1)CC=C)O)O
|
250.29 |
unknown |
https://doi.org/10.1021/NP9001702 |
Illicidione B
|
53262722 |
Click to see
CC(C)(C1CC2(C=C(C(=O)C(=C2O1)CC3=C4C(CC(O4)C(C)(C)O)(C=C(C3=O)CC=C)O)CC=C)O)O
|
512.60 |
unknown |
https://doi.org/10.1021/NP100651N |
Illicidione C
|
53262723 |
Click to see
CC(C)(C1CC2(CC(C(=O)C(=C2O1)CC3=C4C(CC(C3=O)CC=C)(CC(O4)C(C)(C)O)O)CC=C)O)O
|
516.60 |
unknown |
https://doi.org/10.1021/NP100651N |
illifunone C
|
15700250 |
Click to see
CC(C)(C1CC2(CC(C(=O)C=C2O1)CC=C)O)O
|
252.31 |
unknown |
https://doi.org/10.1021/NP9001702 |
illifunone D
|
44481193 |
Click to see
CC(C)(C1CC2(CC(C(=O)C=C2O1)CC=C)O)O
|
252.31 |
unknown |
https://doi.org/10.1021/NP9001702 |
> Organoheterocyclic compounds / Dioxolanes / 1,3-dioxolanes
|
Illioliganone B
|
44179780 |
Click to see
CC(C)(C(CC1=CC2(C(=CC1=O)OCO2)CC=C)O)O
|
280.32 |
unknown |
https://doi.org/10.1021/NP9001702 |
> Organoheterocyclic compounds / Lactones
|
(1R,2S,5R,6R,13R)-2,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
|
16053028 |
Click to see
CC1(CCC2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O
|
298.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
Pseudo-anisatin
|
6708809 |
Click to see
CC1CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O
|
298.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
Pseudoanisatin
|
44566790 |
Click to see
CC1CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O
|
298.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(1R,5S,8R,9S)-9-acetyl-8-hydroxy-5,9-dimethyl-4,11-dioxatricyclo[6.5.0.01,5]tridecane-3,12-dione
|
25243171 |
Click to see
CC(=O)C1(COC(=O)CC23C1(CCC2(OC(=O)C3)C)O)C
|
296.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
(1R,5S,8S,9R)-8-hydroxy-9-[(1S)-1-hydroxyethyl]-5,9-dimethyl-4,11-dioxatricyclo[6.5.0.01,5]tridecane-3,12-dione
|
25243003 |
Click to see
CC(C1(COC(=O)CC23C1(CCC2(OC(=O)C3)C)O)C)O
|
298.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
(1S,2R,3S,7S,8S,11S)-2,8-dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
|
101588995 |
Click to see
CC12CCC3(C1(CC(=O)O2)C(C4(C3(COC4=O)C)C)O)O
|
296.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
8H-Pentaleno(4,3a-b:1,2-c')difuran-2,8(1H)-dione, octahydro-5a,9-dihydroxy-3a,5b,8a-trimethyl-, (3aS,5aS,5bS,8aS,9R,9aS)-
|
132427619 |
Click to see
CC12CCC3(C1(CC(=O)O2)C(C4(C3(COC4=O)C)C)O)O
|
296.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
9-Acetyl-8-hydroxy-5,9-dimethyl-4,11-dioxatricyclo[6.5.0.01,5]tridecane-3,12-dione
|
74412942 |
Click to see
CC(=O)C1(COC(=O)CC23C1(CCC2(OC(=O)C3)C)O)C
|
296.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
anislactone B
|
45267954 |
Click to see
CC12CCC3(C1(CC(=O)O2)C(C4(C3(COC4=O)C)C)O)O
|
296.31 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Organoheterocyclic compounds / Naphthopyrans
|
Illicidione A
|
54581405 |
Click to see
CC1(C(CC2=C(O1)C3C(=O)C(C2C4C35CC(OC5=CC(=O)C4(CC=C)O)C(C)(C)O)(CC=C)O)O)C
|
500.60 |
unknown |
https://doi.org/10.1021/NP100651N |
> Organoheterocyclic compounds / Oxepanes
|
(1S,2S,5R,7R,12R,13S,14R)-5,12-dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
|
11808142 |
Click to see
CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
(1S,5R,7R,12R,13S,14R)-5,12-dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
|
163195273 |
Click to see
CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
5,12-Dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
|
494844 |
Click to see
CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
Pseudomajucin
|
44566789 |
Click to see
CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
|
282.33 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Organoheterocyclic compounds / Pyranodioxins
|
(2S,3S,4aR,6R,7R,8S,8aR)-6-(hydroxymethyl)-2-(4-methoxyphenyl)-3-methyl-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxine-7,8-diol
|
163040199 |
Click to see
CC1C(OC2C(C(C(OC2O1)CO)O)O)C3=CC=C(C=C3)OC
|
326.34 |
unknown |
https://doi.org/10.1021/NP8004979 |
oligandrumin E
|
45270509 |
Click to see
CC1C(OC2C(C(C(OC2O1)CO)O)O)C3=CC=C(C=C3)OC
|
326.34 |
unknown |
https://doi.org/10.1021/NP8004979 |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
8-[5-(5,7-Dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
162877281 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=COC6=CC(=CC(=C6C5=O)O)O)O)O
|
538.50 |
unknown |
https://doi.org/10.1021/NP8004979 |