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CHEBI:169781 - 3,4,5-trihydroxy-6-(4-hydroxy-1H-indole-3-carbonyloxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:169781
ChEBI Name3,4,5-trihydroxy-6-(4-hydroxy-1H-indole-3-carbonyloxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO9
Net Charge0
Average Mass353.283
Monoisotopic Mass353.07468
SMILESO=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1cnc2cccc(O)c12
InChIInChI=1S/C15H15NO9/c17-7-3-1-2-6-8(7)5(4-16-6)14(23)25-15-11(20)9(18)10(19)12(24-15)13(21)22/h1-4,9-12,15-20H,(H,21,22)
InChIKeyOSRPAIJGEBSVEH-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-(4-hydroxy-1H-indole-3-carbonyloxy)oxane-2-carboxylic acid (CHEBI:169781) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(4-hydroxy-1H-indole-3-carbonyl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0134950HMDB