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CHEBI:187217 - 3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate

ChEBI IDCHEBI:187217
ChEBI Name3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15O7S
Net Charge-1
Average Mass351.356
Monoisotopic Mass351.05440
SMILESCOc1ccc(C2Oc3cc(S(=O)O)cc([O-])c3CC2O)cc1O
InChIInChI=1S/C16H16O7S/c1-22-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(24(20)21)6-15(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1
InChIKeyJENKBLJXTTYNTJ-UHFFFAOYSA-M
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-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:187217) is a ether (CHEBI:25698)
3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:187217) is a flavonoids (CHEBI:72544)
IUPAC Name 
3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulino-3,4-dihydro-2H-chromen-5-olate