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CHEBI:188262 - 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

ChEBI IDCHEBI:188262
ChEBI Name5-Carboxypyranocyanidin 3-O-beta-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H21O13
Net Charge+1
Average Mass517.419
Monoisotopic Mass517.09767
SMILESO=C(O)c1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc3cc(=[OH+])cc(o1)c32
InChIInChI=1S/C24H20O13/c25-7-16-18(29)19(30)20(31)24(36-16)37-22-10-6-15(23(32)33)34-13-4-9(26)5-14(17(10)13)35-21(22)8-1-2-11(27)12(28)3-8/h1-6,16,18-20,24-25,27-31H,7H2,(H,32,33)/p+1/t16-,18-,19?,20?,24+/m1/s1
InChIKeyXHZPVEUPKOBOOZ-BGRIOBNKSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
5-Carboxypyranocyanidin 3-O-beta-glucopyranoside (CHEBI:188262) is a flavonoids (CHEBI:72544)
5-Carboxypyranocyanidin 3-O-beta-glucopyranoside (CHEBI:188262) is a glycoside (CHEBI:24400)
IUPAC Name 
[7-carboxy-3-(3,4-dihydroxyphenyl)-4-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
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