input word = C00058990

Metabolite InformationStructural formula
Name Pelargonidin 3-O-malonylglucoside
Formula C24H23O13.Cl
Mw 554.08271853
CAS RN 104056-23-7
C_ID C00058990
InChIKey DBUJBAJDBQXRGX-CVOPIXFLSA-N
InChICode InChI=1S/C24H22O13.ClH/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29;/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29);1H/t17-,20-,21+,22-,24-;/m1./s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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