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CHEBI:187072 - Pelargonidin 3-(6''-acetylglucoside)

Default Structure
ChEBI IDCHEBI:187072
ChEBI NamePelargonidin 3-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23O11
Net Charge+1
Average Mass475.426
Monoisotopic Mass475.12349
SMILESCC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C23H22O11/c1-10(24)31-9-18-19(28)20(29)21(30)23(34-18)33-17-8-14-15(27)6-13(26)7-16(14)32-22(17)11-2-4-12(25)5-3-11/h2-8,18-21,23,28-30H,9H2,1H3,(H2-,25,26,27)/p+1/t18?,19-,20?,21?,23-/m1/s1
InChIKeySYFJGOZRUVEOJC-XKFVAKCWSA-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-(6''-acetylglucoside) (CHEBI:187072) 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 acetate
Manual XrefsDatabases
24842076ChemSpider
LMPK12010029LIPID MAPS