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CHEBI:168380 - 3,4,5-trihydroxy-6-[(6-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:168380
ChEBI Name3,4,5-trihydroxy-6-[(6-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O9
Net Charge0
Average Mass352.295
Monoisotopic Mass352.07943
SMILESCc1cc2ccc(=O)oc2cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C16H16O9/c1-6-4-7-2-3-10(17)23-9(7)5-8(6)24-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)
InChIKeyLVLQJEYJJFETTI-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-[(6-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid (CHEBI:168380) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-[(6-methyl-2-oxo-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid (CHEBI:168380) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-(6-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135534HMDB