CHEBI:185440 - [2,2-dimethyl-6-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

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ChEBI Name [2,2-dimethyl-6-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
ChEBI ID CHEBI:185440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O10S
Net Charge 0
Average Mass 450.410
Monoisotopic Mass 450.06207
InChI InChI=1S/C20H18O10S/c1-20(2)15(30-31(25,26)27)6-10-5-9(3-4-13(10)29-20)19-18(24)17(23)16-12(22)7-11(21)8-14(16)28-19/h3-5,7-8,15,21-22,24H,6H2,1-2H3,(H,25,26,27)
InChIKey NCGZPVXFXOXWJL-UHFFFAOYSA-N
SMILES S(OC1C(OC2=C(C1)C=C(C=C2)C=3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)(C)C)(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 [2,2-dimethyl-6-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:185440) is a flavones (CHEBI:24043)
IUPAC Name
[2,2-dimethyl-6-(3,5,7-trihydroxy-4-oxochromen-2-yl)-3,4-dihydrochromen-3-yl] hydrogen sulate
Manual Xrefs Databases
74851831 ChemSpider
HMDB0126015 HMDB
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