input word = C00013873

Metabolite InformationStructural formula
Name Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside)
3-[[6-O-alpha-L-arabinopyranosyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C35H34O18
Mw 742.17451429
CAS RN 478622-14-9
C_ID C00013873 ,
InChIKey ATXVYGWDRPMCPT-SHFGHPTHNA-N
InChICode InChI=1S/C35H34O18/c36-16-5-1-14(2-6-16)3-8-24(42)52-33-29(46)27(44)23(13-49-34-30(47)26(43)21(41)12-48-34)51-35(33)53-32-28(45)25-20(40)10-17(37)11-22(25)50-31(32)15-4-7-18(38)19(39)9-15/h1-11,21,23,26-27,29-30,33-41,43-44,46-47H,12-13H2/b8-3+/t21-,23+,26-,27-,29+,30-,33-,34-,35+/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO[C@@H]2OCC(O)[C@H](O)C2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia angustifolia Ref.
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OrganismVicia angustifolia
ReferenceTakemura,Phytochem.,61,(2002),135