input word = C00011093

Metabolite InformationStructural formula
Name 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside
Formula C24H21O13
Mw 517.09821576
CAS RN 566942-52-7
C_ID C00011093 ,
InChIKey DTHNDBFHAFORNZ-RMNKDIIGNA-O
InChICode InChI=1S/C24H20O13/c25-7-16-18(29)19(30)20(31)24(36-16)37-22-10-6-15(23(32)33)34-13-4-9(26)5-14(17(10)13)35-21(22)8-1-2-11(27)12(28)3-8/h1-6,16,18-20,24-25,29-31H,7H2,(H3-,26,27,28,32,33)/p+1/t16-,18-,19-,20-,24+/m1/s1
SMILES O=C(O)C1=Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)[o+]c3cc(O)cc(c23)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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OrganismAllium cepa
ReferenceFossen,Phytochem.,62,(2003),1217