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CHEBI:185065 - [3-hydroxy-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylidenebutoxy]sulfonic acid

ChEBI IDCHEBI:185065
ChEBI Name[3-hydroxy-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylidenebutoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O8S
Net Charge0
Average Mass356.352
Monoisotopic Mass356.05659
SMILESC=C(COS(=O)(=O)O)C(O)Cc1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C15H16O8S/c1-9(8-22-24(18,19)20)12(16)7-11-13(21-2)5-3-10-4-6-14(17)23-15(10)11/h3-6,12,16H,1,7-8H2,2H3,(H,18,19,20)
InChIKeyRLIADVPCOATWDQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
[3-hydroxy-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylidenebutoxy]sulfonic acid (CHEBI:185065) is a coumarins (CHEBI:23403)
IUPAC Name 
[3-hydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] hydrogen sulate
Manual XrefsDatabases
74852995ChemSpider
HMDB0132713HMDB