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 c12c3c(cc(c1)O)[o+]c(c(c3C=C(O2)C(=O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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