CHEBI:193490 - Quercetagetin 3-methyl ether 7-O-sulfate

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ChEBI Name Quercetagetin 3-methyl ether 7-O-sulfate
ChEBI ID CHEBI:193490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12O11S
Net Charge 0
Average Mass 412.320
Monoisotopic Mass 412.01003
InChI InChI=1S/C16H12O11S/c1-25-16-14(21)11-9(5-10(12(19)13(11)20)27-28(22,23)24)26-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)
InChIKey QOBBVPZWFXTPBO-UHFFFAOYSA-N
SMILES S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1O)C3=CC(O)=C(O)C=C3)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetagetin 3-methyl ether 7-O-sulfate (CHEBI:193490) is a ether (CHEBI:25698)
Quercetagetin 3-methyl ether 7-O-sulfate (CHEBI:193490) is a flavonoids (CHEBI:72544)
IUPAC Name
[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-4-oxochromen-7-yl] hydrogen sulate
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24845589 ChemSpider
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