CHEBI:184692 - Kaempferide 3-O-sulfate

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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 Kaempferide 3-O-sulfate
ChEBI ID CHEBI:184692
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12O9S
Net Charge 0
Average Mass 380.320
Monoisotopic Mass 380.02020
InChI InChI=1S/C16H12O9S/c1-23-10-4-2-8(3-5-10)15-16(25-26(20,21)22)14(19)13-11(18)6-9(17)7-12(13)24-15/h2-7,17-18H,1H3,(H,20,21,22)
InChIKey KKQNMUQBVWQILU-UHFFFAOYSA-N
SMILES S(OC1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(OC)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 Kaempferide 3-O-sulfate (CHEBI:184692) is a ether (CHEBI:25698)
Kaempferide 3-O-sulfate (CHEBI:184692) is a flavonoids (CHEBI:72544)
IUPAC Name
[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulate
Manual Xrefs Databases
24844766 ChemSpider
LMPK12112039 LIPID MAPS
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