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CHEBI:187574 - Cyanidin 3-(6''-dioxalylglucoside)

ChEBI IDCHEBI:187574
ChEBI NameCyanidin 3-(6''-dioxalylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H21O17
Net Charge+1
Average Mass593.426
Monoisotopic Mass593.07733
SMILESO=C(O)C(=O)OC(=O)C(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)/p+1/t16?,17-,18+,19?,25-/m1/s1
InChIKeyNVVPFBWPZCYUJK-FUARRJMFSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-(6''-dioxalylglucoside) (CHEBI:187574) is a flavonoids (CHEBI:72544)
Cyanidin 3-(6''-dioxalylglucoside) (CHEBI:187574) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[2-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoacetyl]oxy-2-oxoacetic acid
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