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Pelargonidin 3-o-(6’’-malony-glucoside)

C24H23O13+ 519.4 g/mol
H O O O H O O H O + O H O H H O H O
Name Pelargonidin 3-o-(6’’-malony-glucoside)
Alternative name Pelargonidin 3-(6''-malonylglucoside)
Formula C24H23O13+
Formula Weight 519.40 g/mol
Molecular Weight 519.40 g/mol
Monoisotopic Mass 519.114000 g/mol
InChI Key XLZUBCUKXQFBKB-GRAUSCIISA-O
IUPAC 3-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChI InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0240551
PubChem 44256635
KEGG C12137
FooDB FDB012426
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0