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CHEBI:80438 - Cyanidin 3-O-sophoroside

Default Structure
ChEBI IDCHEBI:80438
ChEBI NameCyanidin 3-O-sophoroside
Stars
DownloadsMolfile
FormulaC27H31O16
Net Charge+1
Average Mass611.529
Monoisotopic Mass611.16066
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
InChIKeySXYMMDGPXYVCER-WGNLCONDSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-O-sophoroside (CHEBI:80438) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16306KEGG COMPOUND