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CHEBI:185683 - Delphinidin 3-(6''-malonylglucoside)

Default Structure
ChEBI IDCHEBI:185683
ChEBI NameDelphinidin 3-(6''-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23O15
Net Charge+1
Average Mass551.433
Monoisotopic Mass551.10315
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16?,20-,21?,22?,24-/m1/s1
InChIKeyFNFHDAUGLIPVPU-AEQHLJTPSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-(6''-malonylglucoside) (CHEBI:185683) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[[(3S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
24842339ChemSpider
LMPK12010292LIPID MAPS