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CHEBI:188132 - Peonidin acetyl 3,5-diglucoside

Default Structure
ChEBI IDCHEBI:188132
ChEBI NamePeonidin acetyl 3,5-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35O17
Net Charge+1
Average Mass667.593
Monoisotopic Mass667.18688
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(C)=O)[C@@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-14-16(43-28(19)12-3-4-15(34)18(5-12)41-2)6-13(33)7-17(14)44-29-26(39)24(37)22(35)20(9-31)46-29/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20?,21?,22-,23-,24+,25?,26?,27?,29-,30-/m1/s1
InChIKeyKOJLDSZARRTMAS-AUEIVSKPSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Peonidin acetyl 3,5-diglucoside (CHEBI:188132) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
[(3S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24842295ChemSpider
LMPK12010248LIPID MAPS