CHEBI:188428 - 3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate

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ChEBI Name 3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate
ChEBI ID CHEBI:188428
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H15O7S
Net Charge -1
Average Mass 351.350
Monoisotopic Mass 351.05440
InChI InChI=1S/C16H16O7S/c1-21-10-4-2-3-9(5-10)16-14(18)8-12-13(17)6-11(23-24(19)20)7-15(12)22-16/h2-7,14,16-18H,8H2,1H3,(H,19,20)/p-1
InChIKey XZLXLDIIKCIORP-UHFFFAOYSA-M
SMILES S(OC=1C=C2OC(C(O)CC2=C([O-])C1)C3=CC(OC)=CC=C3)(O)=O
Metabolite of Species Details
Mus musculus (NCBITAXON:10090) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:188428) is a ether (CHEBI:25698)
3-hydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate (CHEBI:188428) is a flavonoids (CHEBI:72544)
IUPAC Name
3-hydroxy-2-(3-methoxyphenyl)-7-sulinooxy-3,4-dihydro-2H-chromen-5-olate