> Benzenoids / Phenols / Methoxyphenols
|
(3R,4R,5S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one
|
44613162 |
Click to see
CC1C(OC(=O)C1(C)O)C2=CC(=C(C=C2)O)OC
|
252.26 |
unknown |
https://doi.org/10.1021/NP900504A |
(3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-4-methoxy-3-methylbutan-2-one
|
44613168 |
Click to see
CC(C(C1=CC(=C(C=C1)O)OC)OC)C(=O)C
|
238.28 |
unknown |
https://doi.org/10.1021/NP900504A |
(3R,4S)-4-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one
|
44613296 |
Click to see
CCOC(C1=CC(=C(C=C1)O)OC)C(C)C(=O)C
|
252.31 |
unknown |
https://doi.org/10.1021/NP900504A |
(3R,4S)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one
|
44613161 |
Click to see
CC(C(C1=CC(=C(C=C1)O)OC)O)C(=O)C
|
224.25 |
unknown |
https://doi.org/10.1021/NP900504A |
3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-one
|
75082424 |
Click to see
CC1C(OC(=O)C1(C)O)C2=CC(=C(C=C2)O)OC
|
252.26 |
unknown |
https://doi.org/10.1021/NP900504A |
4-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one
|
75082423 |
Click to see
CC(C(C1=CC(=C(C=C1)O)OC)O)C(=O)C
|
224.25 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lignans, neolignans and related compounds / Aryltetralin lignans
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(-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan
|
44613160 |
Click to see
CC1CC2=CC(=C(C(=C2C(C1C)C3=CC(=C(C=C3)O)OC)OC)O)OC
|
358.40 |
unknown |
https://doi.org/10.1021/NP900504A |
8-(4-Hydroxy-3-methoxyphenyl)-1,3-dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
|
75082422 |
Click to see
CC1CC2=CC(=C(C(=C2C(C1C)C3=CC(=C(C=C3)O)OC)OC)O)OC
|
358.40 |
unknown |
https://doi.org/10.1021/NP900504A |
8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
|
14681584 |
Click to see
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
|
328.40 |
unknown |
https://doi.org/10.1021/NP2001896 https://doi.org/10.1021/NP900504A |
Guaiacin
|
11724027 |
Click to see
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
|
328.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lignans, neolignans and related compounds / Dibenzylbutane lignans
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Dihydroguaiaretic Acid
|
161924 |
Click to see
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC
|
330.40 |
unknown |
https://doi.org/10.1021/NP900504A |
Dihydroguaiaretic acid, meso-
|
476856 |
Click to see
CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC
|
330.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lignans, neolignans and related compounds / Furanoid lignans
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(+)-Eudesmin
|
73117 |
Click to see
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC
|
386.40 |
unknown |
https://doi.org/10.1021/NP900504A |
Kobusin
|
182278 |
Click to see
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC
|
370.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
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4-[(2S,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
|
58507652 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
|
344.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
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2-(3,8-dimethyl-1-oxo-3,4,5,6,7,8-hexahydro-2H-azulen-5-yl)prop-2-enoic acid
|
75082425 |
Click to see
CC1CCC(CC2=C1C(=O)CC2C)C(=C)C(=O)O
|
248.32 |
unknown |
https://doi.org/10.1021/NP900504A |
2-[(3S,5S,8S)-3,8-dimethyl-1-oxo-3,4,5,6,7,8-hexahydro-2H-azulen-5-yl]prop-2-enoic acid
|
44613163 |
Click to see
CC1CCC(CC2=C1C(=O)CC2C)C(=C)C(=O)O
|
248.32 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
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Costic acid
|
6451579 |
Click to see
CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
|
234.33 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
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Haperforin F
|
11114000 |
Click to see
CC1(C23CC(=O)OC2(C4CCC(C(C(=O)C4(C3CC(=O)O1)C)(C(=O)OC)O)(C)C(=O)C5=COC=C5)C)C
|
516.50 |
unknown |
https://doi.org/10.1021/NP900504A |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones / Ginkgolides and bilobalides
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(1R,3S,6R,7R,8S,10R,11R,12R,13R,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
160909351 |
Click to see
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
|
424.40 |
unknown |
https://doi.org/10.1021/NP900504A |
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-
|
115221 |
Click to see
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
|
408.40 |
unknown |
https://doi.org/10.1021/NP900504A |
Gingko lactone
|
65243 |
Click to see
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
|
424.40 |
unknown |
https://doi.org/10.1021/NP900504A |
Ginkgolide A
|
9909368 |
Click to see
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
|
408.40 |
unknown |
https://doi.org/10.1021/NP900504A |
ginkgolide-B
|
6324617 |
Click to see
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
|
424.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
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2-(4,6-Dihydroxy-13-oxo-9,12,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-11-yl)acetic acid
|
75082426 |
Click to see
C1C2C(C3(C(O2)CC(=O)O3)CC(=O)O)OC4=CC(=CC(=C41)O)O
|
322.27 |
unknown |
https://doi.org/10.1021/NP900504A |
2-[(1R,10S,11S,15R)-4,6-dihydroxy-13-oxo-9,12,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-11-yl]acetic acid
|
44613164 |
Click to see
C1C2C(C3(C(O2)CC(=O)O3)CC(=O)O)OC4=CC(=CC(=C41)O)O
|
322.27 |
unknown |
https://doi.org/10.1021/NP900504A |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
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4-dodec-1-en-11-ynyl-2-methyl-2H-furan-5-one
|
75072234 |
Click to see
CC1C=C(C(=O)O1)C=CCCCCCCCCC#C
|
260.40 |
unknown |
https://doi.org/10.1021/NP900504A |
hamabiwalactone A
|
44566940 |
Click to see
CC1C=C(C(=O)O1)C=CCCCCCCCCC#C
|
260.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
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(3E,4R,5S)-3-dodec-11-enylidene-4-hydroxy-5-methyloxolan-2-one
|
12311304 |
Click to see
CC1C(C(=CCCCCCCCCCC=C)C(=O)O1)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP900504A |
(3E,4R,5S)-3-dodec-11-ynylidene-4-hydroxy-5-methyloxolan-2-one
|
12311307 |
Click to see
CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O
|
278.40 |
unknown |
https://doi.org/10.1021/NP900504A |
(3E,4R,5S)-4-hydroxy-5-methyl-3-tetradecylideneoxolan-2-one
|
12311310 |
Click to see
CCCCCCCCCCCCCC=C1C(C(OC1=O)C)O
|
310.50 |
unknown |
https://doi.org/10.1021/NP900504A |
(3E,4S,5S)-3-dodec-11-enylidene-4-hydroxy-5-methyloxolan-2-one
|
101028451 |
Click to see
CC1C(C(=CCCCCCCCCCC=C)C(=O)O1)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP900504A |
(3E,4S,5S)-3-dodec-11-ynylidene-4-hydroxy-5-methyloxolan-2-one
|
11778320 |
Click to see
CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O
|
278.40 |
unknown |
https://doi.org/10.1021/NP900504A |
(3Z,4R,5S)-3-dodec-11-enylidene-4-hydroxy-5-methyloxolan-2-one
|
12311303 |
Click to see
CC1C(C(=CCCCCCCCCCC=C)C(=O)O1)O
|
280.40 |
unknown |
https://doi.org/10.1021/NP900504A |
(3Z,4R,5S)-3-dodec-11-ynylidene-4-hydroxy-5-methyloxolan-2-one
|
12311306 |
Click to see
CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O
|
278.40 |
unknown |
https://doi.org/10.1021/NP900504A |
3-Dodec-11-ynylidene-4-hydroxy-5-methyloxolan-2-one
|
73097479 |
Click to see
CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O
|
278.40 |
unknown |
https://doi.org/10.1021/NP900504A |
4-Hydroxy-5-methyl-3-tetradecylideneoxolan-2-one
|
72790665 |
Click to see
CCCCCCCCCCCCCC=C1C(C(OC1=O)C)O
|
310.50 |
unknown |
https://doi.org/10.1021/NP900504A |
Lincomolide B
|
6482486 |
Click to see
CC1C(C(=CCCCCCCCCCC#C)C(=O)O1)O
|
278.40 |
unknown |
https://doi.org/10.1021/NP900504A |
> Organoheterocyclic compounds / Oxolanes
|
4-Hydroxy-5-methylidene-3-octadecylideneoxolan-2-one
|
370916 |
Click to see
CCCCCCCCCCCCCCCCCC=C1C(C(=C)OC1=O)O
|
364.60 |
unknown |
https://doi.org/10.1021/NP900504A |
Isomahubannolide-23
|
46237230 |
Click to see
CCCCCCCCCCCCCCCCCC=C1C(C(=C)OC1=O)O
|
364.60 |
unknown |
https://doi.org/10.1021/NP900504A |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
|
(E)-4-(4-hydroxy-3-methoxyphenyl)-3-methylbut-3-en-2-one
|
68254945 |
Click to see
CC(=CC1=CC(=C(C=C1)O)OC)C(=O)C
|
206.24 |
unknown |
https://doi.org/10.1021/NP900504A |