> Lignans, neolignans and related compounds / Lignan glycosides
|
Simplexoside
|
443020 |
Click to see
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O
|
518.50 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
Pellitorine
|
5318516 |
Click to see
CCCCCC=CC=CC(=O)NCC(C)C
|
223.35 |
unknown |
https://doi.org/10.1021/NP50041A042 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
5-Geranoxypsoralen;Bergamottin; Bergaptin
|
119057 |
Click to see
CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C
|
338.40 |
unknown |
https://doi.org/10.1016/S0031-9422(02)00748-3 https://doi.org/10.1055/S-2006-947239 |
9-[(3,7-Dimethyl-2,6-octadien-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
|
155658 |
Click to see
CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C
|
338.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 https://doi.org/10.1016/S0031-9422(02)00748-3 |
Bergamottin
|
5471349 |
Click to see
CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C
|
338.40 |
unknown |
https://doi.org/10.1002/CHIN.200333216 https://doi.org/10.1055/S-2006-947239 https://doi.org/10.1016/S0031-9422(02)00748-3 |
Xanthotoxol geranyl ether
|
5317564 |
Click to see
CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C
|
338.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 https://doi.org/10.1016/S0031-9422(02)00748-3 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
|
Limonin
|
179651 |
Click to see
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
|
470.50 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones
|
Isolimonexic acid
|
5321282 |
Click to see
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(OC7=O)O)C)C)C
|
502.50 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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/10.1007/BF02976999 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1007/BF02976999 |
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/10.1007/BF02976999 |
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/10.1007/BF02976999 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
|
Inositol
|
892 |
Click to see
C1(C(C(C(C(C1O)O)O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
|
Uracil
|
1174 |
Click to see
C1=CNC(=O)NC1=O
|
112.09 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
|
(+)-Lansiumarin C; 8-[(E)-6-Hydroxy-3,7-dimethylocta-2,7-dienyloxy]psoralen
|
85160837 |
Click to see
CC(=C)C(CCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
4-(6-Hydroxy-3,7-dimethylocta-2,7-dienoxy)furo[3,2-g]chromen-7-one
|
78200750 |
Click to see
CC(=C)C(CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O
|
354.40 |
unknown |
https://doi.org/10.1016/S0031-9422(02)00748-3 |
4-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]furo[3,2-g]chromen-7-one
|
163187881 |
Click to see
CC(=C)C(CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O
|
354.40 |
unknown |
https://doi.org/10.1016/S0031-9422(02)00748-3 |
4-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
|
92974545 |
Click to see
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
4-[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
|
85073785 |
Click to see
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
4-{[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
|
78385371 |
Click to see
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CC=CC(C)(C)O
|
354.40 |
unknown |
https://doi.org/10.1016/S0031-9422(02)00748-3 |
9-((7-Hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
|
15406017 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CC=CC(C)(C)O
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-(6,7-Dihydroxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one
|
85180349 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCC(C(C)(C)O)O
|
372.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-(7-Hydroxy-3,7-dimethylocta-2,5-dienoxy)furo[3,2-g]chromen-7-one
|
54519294 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CC=CC(C)(C)O
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]furo[3,2-g]chromen-7-one
|
92475866 |
Click to see
CC(=C)C(CCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
|
92475864 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCC(C(C)(C)O)O
|
372.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
|
163193629 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCC4C(O4)(C)C
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
9-[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
|
73204078 |
Click to see
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCC4C(O4)(C)C
|
354.40 |
unknown |
https://doi.org/10.1055/S-2006-947239 |
Notoptol
|
5320228 |
Click to see
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CC=CC(C)(C)O
|
354.40 |
unknown |
https://doi.org/10.1002/CHIN.200333216 https://doi.org/10.1016/S0031-9422(02)00748-3 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
|
Bergapten
|
2355 |
Click to see
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
|
216.19 |
unknown |
https://doi.org/10.1002/CHIN.200333216 https://doi.org/10.1016/S0031-9422(02)00748-3 https://doi.org/10.1007/BF02976999 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
|
Isopimpinellin
|
68079 |
Click to see
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
|
246.21 |
unknown |
https://doi.org/10.1002/CHIN.200333216 https://doi.org/10.1016/S0031-9422(02)00748-3 https://doi.org/10.1007/BF02976999 |
Methoxsalen
|
4114 |
Click to see
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
|
216.19 |
unknown |
https://doi.org/10.1002/CHIN.200333216 https://doi.org/10.1016/S0031-9422(02)00748-3 https://doi.org/10.1007/BF02976999 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
Vitexin
|
5280441 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1007/BF02976999 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
129010007 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
|
610.60 |
unknown |
https://doi.org/10.1007/BF02976999 |
Hesperidin
|
10621 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
|
610.60 |
unknown |
https://doi.org/10.1007/BF02976999 |
Phellodensin F
|
42607895 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
|
502.50 |
unknown |
https://doi.org/10.1007/BF02976999 https://doi.org/10.1021/NP50041A042 |