CHEBI:191887 - 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate

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ChEBI Name 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate
ChEBI ID CHEBI:191887
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H15O8S
Net Charge -1
Average Mass 367.350
Monoisotopic Mass 367.04931
InChI InChI=1S/C16H16O8S/c1-22-9-4-2-3-8(5-9)16-11(17)6-10-12(23-16)7-13(24-25(20)21)15(19)14(10)18/h2-5,7,11,16-19H,6H2,1H3,(H,20,21)/p-1
InChIKey XBOIKARYUAGYEQ-UHFFFAOYSA-M
SMILES S(OC=1C=C2OC(C(O)CC2=C([O-])C1O)C3=CC(OC)=CC=C3)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:191887) is a ether (CHEBI:25698)
3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:191887) is a flavonoids (CHEBI:72544)
IUPAC Name
3,6-dihydroxy-2-(3-methoxyphenyl)-7-sulinooxy-3,4-dihydro-2H-chromen-5-olate