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CHEBI:167945 - Acaciabiuronic acid

ChEBI IDCHEBI:167945
ChEBI NameAcaciabiuronic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O12
Net Charge0
Average Mass356.280
Monoisotopic Mass356.09548
SMILESO=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C12H20O12/c13-3-2(23-11(21)7(17)4(3)14)1-22-12-8(18)5(15)6(16)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)
InChIKeyYOOPHLDCWPOWDX-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)
Acaciabiuronic acid (CHEBI:167945) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0029938HMDB