CHEBI:169021 - Kaempferol 7,4'-dimethyl ether 3-O-sulfate

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ChEBI Name Kaempferol 7,4'-dimethyl ether 3-O-sulfate
ChEBI ID CHEBI:169021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H14O9S
Net Charge 0
Average Mass 394.350
Monoisotopic Mass 394.03585
InChI InChI=1S/C17H14O9S/c1-23-10-5-3-9(4-6-10)16-17(26-27(20,21)22)15(19)14-12(18)7-11(24-2)8-13(14)25-16/h3-8,18H,1-2H3,(H,20,21,22)
InChIKey WXRZYIAUGRZZHE-UHFFFAOYSA-N
SMILES S(OC1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(OC)C=C3)(O)(=O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Kaempferol 7,4'-dimethyl ether 3-O-sulfate (CHEBI:169021) is a ether (CHEBI:25698)
Kaempferol 7,4'-dimethyl ether 3-O-sulfate (CHEBI:169021) is a flavonoids (CHEBI:72544)
IUPAC Name
[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulate
Manual Xrefs Databases
24845266 ChemSpider
LMPK12112596 LIPID MAPS
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