input word = C00013878

Metabolite InformationStructural formula
Name Quercetin 3-(2'''-feruloylsophoroside)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C37H38O20
Mw 802.19564366
CAS RN 219745-01-4
C_ID C00013878 ,
InChIKey BYEFUYPJCOTACA-YUSJESQDNA-N
InChICode InChI=1S/C37H38O20/c1-51-21-8-14(2-5-18(21)42)3-7-25(45)55-34-30(49)27(46)23(12-38)53-36(34)57-35-31(50)28(47)24(13-39)54-37(35)56-33-29(48)26-20(44)10-16(40)11-22(26)52-32(33)15-4-6-17(41)19(43)9-15/h2-11,23-24,27-28,30-31,34-44,46-47,49-50H,12-13H2,1H3/b7-3+/t23-,24-,27-,28-,30+,31+,34-,35+,36+,37+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@H](OC3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)OC(CO)[C@@H](O)[C@@H]3O)OC(CO)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePetunia hybrida cv. Mitchell Ref.
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OrganismPetunia hybrida cv. Mitchell
ReferenceBloor,Phytochem.,49,(1998),1427