input word = C00011094

Metabolite InformationStructural formula
Name 5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside)
Formula C27H23O16
Mw 603.09860969
CAS RN 566942-53-8
C_ID C00011094 ,
InChIKey QYGZGEVHEDPHDA-QWHQTXAQNA-O
InChICode InChI=1S/C27H22O16/c28-10-4-14-20-11(6-16(40-14)26(37)38)25(24(41-15(20)5-10)9-1-2-12(29)13(30)3-9)43-27-23(36)22(35)21(34)17(42-27)8-39-19(33)7-18(31)32/h1-6,17,21-23,27,34-36H,7-8H2,(H4-,28,29,30,31,32,37,38)/p+1/t17-,21-,22-,23-,27+/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)COC(=O)CC(=O)O)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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