CHEBI:177116 - [2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid

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ChEBI Name [2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
ChEBI ID CHEBI:177116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O12S
Net Charge 0
Average Mass 498.460
Monoisotopic Mass 498.08320
InChI InChI=1S/C21H22O12S/c22-8-14-17(26)21(33-34(28,29)30)18(27)20(32-14)16-11(24)6-10(23)15-12(25)7-13(31-19(15)16)9-4-2-1-3-5-9/h1-6,13-14,17-18,20-24,26-27H,7-8H2,(H,28,29,30)
InChIKey RIYRTMARSYTXNY-UHFFFAOYSA-N
SMILES S(OC1C(O)C(OC(C1O)CO)C2=C3OC(CC(=O)C3=C(O)C=C2O)C4=CC=CC=C4)(O)(=O)=O
Metabolite of Species Details
Bos grunniens (NCBI:txid30521) Found in subcutaneous adipose tissue (BTO:0004042).
ChEBI Ontology
Outgoing [2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid (CHEBI:177116) is a flavonoids (CHEBI:72544)
IUPAC Name
[2-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
Manual Xref Database
HMDB0124788 HMDB
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