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CHEBI:178037 - Cyanidin-3-p-hydroxybenzoyl sophoroside-5-glucoside

Default Structure
ChEBI IDCHEBI:178037
ChEBI NameCyanidin-3-p-hydroxybenzoyl sophoroside-5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H45O23
Net Charge+1
Average Mass893.777
Monoisotopic Mass893.23461
SMILESO=C(OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccc(O)cc1
InChIInChI=1S/C40H44O23/c41-11-24-27(47)30(50)33(53)38(60-24)58-22-9-17(44)8-21-18(22)10-23(35(57-21)15-3-6-19(45)20(46)7-15)59-40-36(32(52)28(48)25(12-42)61-40)63-39-34(54)31(51)29(49)26(62-39)13-56-37(55)14-1-4-16(43)5-2-14/h1-10,24-34,36,38-42,47-54H,11-13H2,(H3-,43,44,45,46,55)/p+1
InChIKeyBJDSAEBKSZPTEC-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Ipomoea batatas (ncbitaxon:4120) Root (BTO:0001188) MetaboLights (MTBLS2956)
ChEBI Ontology
Outgoing Relation(s)
Cyanidin-3-p-hydroxybenzoyl sophoroside-5-glucoside (CHEBI:178037) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
[6-[2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
Manual XrefsDatabases
HMDB0125180HMDB