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CHEBI:168146 - 3,4,5-trihydroxy-6-{[3-hydroxy-2-methoxy-6-(3,5,7-trihydroxy-2H-chromen-2-ylidene)cyclohexa-2,4-dien-1-ylidene]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168146
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-2-methoxy-6-(3,5,7-trihydroxy-2H-chromen-2-ylidene)cyclohexa-2,4-dien-1-ylidene]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21O13
Net Charge0
Average Mass493.397
Monoisotopic Mass493.09822
SMILESCOC1=C(O)C=C/C(=C2\Oc3cc(O)cc(O)c3C=C2O)[C]1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C22H21O13/c1-32-19-10(24)3-2-8(17-12(26)6-9-11(25)4-7(23)5-13(9)33-17)18(19)34-22-16(29)14(27)15(28)20(35-22)21(30)31/h2-6,14-16,20,22-29H,1H3,(H,30,31)
InChIKeySWSLSFPMASAIQH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-2-methoxy-6-(3,5,7-trihydroxy-2H-chromen-2-ylidene)cyclohexa-2,4-dien-1-ylidene]oxy}oxane-2-carboxylic acid (CHEBI:168146) is a glucosiduronic acid (CHEBI:24302)
Manual XrefsDatabases
HMDB0128128HMDB