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CHEBI:169815 - [1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid

ChEBI IDCHEBI:169815
ChEBI Name[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O8S
Net Charge0
Average Mass342.325
Monoisotopic Mass342.04094
SMILESCOc1cc2oc(=O)ccc2cc1C(CC(C)=O)OS(=O)(=O)O
InChIInChI=1S/C14H14O8S/c1-8(15)5-13(22-23(17,18)19)10-6-9-3-4-14(16)21-11(9)7-12(10)20-2/h3-4,6-7,13H,5H2,1-2H3,(H,17,18,19)
InChIKeyRAZXYNKESCFHRU-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)
[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-oxobutoxy]sulfonic acid (CHEBI:169815) is a coumarins (CHEBI:23403)
IUPAC Name 
[1-(7-methoxy-2-oxochromen-6-yl)-3-oxobutyl] hydrogen sulate
Manual XrefsDatabases
HMDB0128976HMDB
74852405ChemSpider