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CHEBI:186565 - Pelargonidin 3-p-coumarylglucoside

Default Structure
ChEBI IDCHEBI:186565
ChEBI NamePelargonidin 3-p-coumarylglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H27O12
Net Charge+1
Average Mass579.534
Monoisotopic Mass579.14970
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24?,26-,27?,28?,30-/m1/s1
InChIKeyVZPBBOAZFCREMQ-RYHKZSCWSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-p-coumarylglucoside (CHEBI:186565) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24842078ChemSpider
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