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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate
ChEBI ID CHEBI:187217
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/c1-22-14-3-2-8(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
InChIKey JENKBLJXTTYNTJ-UHFFFAOYSA-M
SMILES S(O)(=O)C=1C=C2OC(C(O)CC2=C([O-])C1)C3=CC(O)=C(OC)C=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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