CHEBI:184682 - [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

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 [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
ChEBI ID CHEBI:184682
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H12O9S
Net Charge 0
Average Mass 368.310
Monoisotopic Mass 368.02020
InChI InChI=1S/C15H12O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,14-18H,(H,20,21,22)
InChIKey ZHEHDHBBJQVQTB-UHFFFAOYSA-N
SMILES S(OC1C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)(O)(=O)=O
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 [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:184682) is a flavonoids (CHEBI:72544)
IUPAC Name
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
Manual Xrefs Databases
74851701 ChemSpider
HMDB0125396 HMDB
View more database links