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

C33H41O20+ 757.7 g/mol
O O O O O H H O O + O H O H O O H O O H O H O H O H O H O H H O H O
Name Cyanidin-3-o-(2′′-o-glucosyl)rutinoside
Alternative name Cyanidin 3-(2G-glucosylrutinoside)
Formula C33H41O20+
Formula Weight 757.70 g/mol
Molecular Weight 757.70 g/mol
Monoisotopic Mass 757.219000 g/mol
InChI Key MSUVUDCULKNUJL-UHFFFAOYSA-O
IUPAC 2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
InChI InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1
SMILES CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Food Berry, 
Food Source Raspberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Coumarin metabolite
CASNO 55028-57-4
HMDB HMDB0037988
PubChem 56671053
KEGG C08604
FooDB FDB017177
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0