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Pelargonidin-3-malonylglucoside

C21H21ClO10 468.8 g/mol
H O O O H O O H O + O H O H H O H O
Name Pelargonidin-3-malonylglucoside
Alternative name Pelargonidin glucoside
Formula C21H21ClO10
Formula Weight 468.80 g/mol
Molecular Weight 468.80 g/mol
Monoisotopic Mass 468.082000 g/mol
InChI Key CAHGSEFWVUVGGL-UBNZBFALSA-N
IUPAC (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
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 3080714
KEGG C12137
FooDB FDB012426
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0