input word = C00013773

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-caffeoylglucoside)
3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C30H26O14
Mw 610.13225554
CAS RN 190328-43-9
C_ID C00013773 ,
InChIKey GZORMMCZSCNNCI-QHCKOOACNA-N
InChICode InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+/t21-,24+,26-,27+,30-/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinium Ref.
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
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