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Pelargonidin-3-o-(2′′-o-glucosyl)rutinoside

C33H41O19+ 741.7 g/mol
H O O O H O O H O + O H O H H O H O
Name Pelargonidin-3-o-(2′′-o-glucosyl)rutinoside
Alternative name
Formula C33H41O19+
Formula Weight 741.70 g/mol
Molecular Weight 741.70 g/mol
Monoisotopic Mass 741.224000 g/mol
InChI Key YGSWCXGIDLPEGH-HMOOPZIWSA-O
IUPAC (2R,4S,5R)-2-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
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 Raspberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO No CAS
HMDB HMDB0240551
PubChem 44256629
KEGG C12137
FooDB FDB012426
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0