CHEBI:176362 - [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid

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ChEBI Name [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid
ChEBI ID CHEBI:176362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C15H14O6S
Net Charge 0
Average Mass 322.330
Monoisotopic Mass 322.05111
InChI InChI=1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)
InChIKey UXOJWGSGKUYMIA-UHFFFAOYSA-N
SMILES S(OC1=CC=C(C2CC3=C(OC2)C=C(O)C=C3)C=C1)(O)(=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
ChEBI Ontology
Outgoing [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid (CHEBI:176362) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name
[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] hydrogen sulate
Manual Xrefs Databases
23936050 ChemSpider
HMDB0141213 HMDB
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