> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
3,4-Dimethoxybenzaldehyde
|
8419 |
Click to see
COC1=C(C=C(C=C1)C=O)OC
|
166.17 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
234817 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Pinoresinol
|
73399 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O
|
358.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Syringaresinol
|
100067 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Syringaresinol, (+)-
|
443023 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
|
4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-3(2H)-picenone
|
500344 |
Click to see
CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
|
424.70 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
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/10.5012/BKCS.2011.32.6.2079 |
Taraxerol
|
92097 |
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/10.5012/BKCS.2011.32.6.2079 |
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 |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aR,5aS,5bR,7aS,9S,11aR,11bS,13aS,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
162952653 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
(1R,3aR,5aS,5bR,7aS,9S,11aR,11bS,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
162955626 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
(3S,4aS,6aS,6bS,8aR,11S,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
163022458 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
2371 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Lup-20(29)-ene-3beta,28-diol
|
221023 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Urs-12-en-3beta-ol
|
225688 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
163042766 |
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 |
https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
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 |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1248/YAKUSHI1947.95.11_1388 |
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 |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Organic nitrogen compounds / Organonitrogen compounds / Guanidines
|
Guanidinooxypropylamine
|
126170 |
Click to see
C(CN)CON=C(N)N
|
132.16 |
unknown |
https://doi.org/10.1016/0006-291X(85)91400-7 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,6,7,8-pentol
|
72985931 |
Click to see
C1C(C(OC2=C(C(=C(C(=C21)O)O)O)O)C3=CC(=C(C=C3)O)O)O
|
322.27 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
1203 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
Dulcisflavan
|
11500740 |
Click to see
C1C(C(OC2=C(C(=C(C(=C21)O)O)O)O)C3=CC(=C(C=C3)O)O)O
|
322.27 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavan-3-ols
|
(-)-Epiafzelechin
|
443639 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
|
274.27 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
|
282014 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
|
274.27 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Afzelechin
|
442154 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
|
274.27 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
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/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
56955040 |
Click to see
C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
|
436.40 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
16724600 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)(CO)O
|
580.50 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
45359361 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)(CO)O
|
580.50 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
162951780 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 |
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/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
12313332 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Allivicin
|
14730435 |
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)OC5C(C(C(C(O5)CO)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
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/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
Kaempferol 3,4'-diglucoside
|
14730437 |
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)OC5C(C(C(C(O5)CO)O)O)O
|
610.50 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
Kaempferol-3-O-rutinoside
|
5318767 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
14524616 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
|
436.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
14524615 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O
|
436.40 |
unknown |
https://doi.org/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
13647408 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
Kaempferol 3,7-diglucoside
|
6325460 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
|
610.50 |
unknown |
https://doi.org/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |
kaempferol 7-O-glucoside
|
10095180 |
Click to see
C1=CC(=CC=C1C2=C(C(=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/10.5012/BKCS.2011.32.6.2079 https://doi.org/10.1080/10286020.2011.603306 |
Kaempferol-7-o-glucoside
|
5480982 |
Click to see
C1=CC(=CC=C1C2=C(C(=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/10.1080/10286020.2011.603306 https://doi.org/10.5012/BKCS.2011.32.6.2079 |