input word = C00060340

Metabolite InformationStructural formula
Name Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
Formula C24H23O14
Mw 535.10878045
CAS RN 171828-62-9
C_ID C00060340
InChIKey ROQLTZUOXIQBDO-JZWLZXDTSA-O
InChICode InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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