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CHEBI:169441 - (6-carboxy-3,4,5-trihydroxyoxan-2-yl)[3,5-dihydroxy-2-(2,3,4-trihydroxyphenyl)-7H-chromen-7-ylidene]oxidanium

ChEBI IDCHEBI:169441
ChEBI Name(6-carboxy-3,4,5-trihydroxyoxan-2-yl)[3,5-dihydroxy-2-(2,3,4-trihydroxyphenyl)-7H-chromen-7-ylidene]oxidanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19O13
Net Charge+1
Average Mass479.370
Monoisotopic Mass479.08202
SMILESO=C(O)C1OC(Oc2cc(O)c3cc(O)c(-c4ccc(O)c(O)c4O)[o+]c3c2)C(O)C(O)C1O
InChIInChI=1S/C21H18O13/c22-9-2-1-7(13(25)14(9)26)18-11(24)5-8-10(23)3-6(4-12(8)33-18)32-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-5,15-17,19,21,27-29H,(H5-,22,23,24,25,26,30,31)/p+1
InChIKeyXXGCZJDHXNLZDQ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(6-carboxy-3,4,5-trihydroxyoxan-2-yl)[3,5-dihydroxy-2-(2,3,4-trihydroxyphenyl)-7H-chromen-7-ylidene]oxidanium (CHEBI:169441) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
6-[3,5-dihydroxy-2-(2,3,4-trihydroxyphenyl)chromenylium-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130427HMDB