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Cyanidin-3-o-sophoroside

C27H31O16+ 611.5 g/mol
H O O O H O O H O + H O O H O O H O H O O H H O H O
Name Cyanidin-3-o-sophoroside
Alternative name cyanidin sophoroside
Formula C27H31O16+
Formula Weight 611.50 g/mol
Molecular Weight 611.50 g/mol
Monoisotopic Mass 611.161000 g/mol
InChI Key SXYMMDGPXYVCER-WGNLCONDSA-O
IUPAC (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1
SMILES OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO 38820-68-7
HMDB HMDB0037976
PubChem 11169452
KEGG C08604
FooDB FDB017165
DrugBank DB01904
ChEBI 28426
BioCyc CPD1F-766
METLIN 5221.0