CHEBI:187809 - 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate

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ChEBI Name 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate
ChEBI ID CHEBI:187809
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H14O13S2
Net Charge 0
Average Mass 490.410
Monoisotopic Mass 489.98758
InChI InChI=1S/C17H14O13S2/c1-26-12-5-8(3-4-10(12)29-31(20,21)22)11-6-9(18)15-13(28-11)7-14(30-32(23,24)25)17(27-2)16(15)19/h3-7,19H,1-2H3,(H,20,21,22)(H,23,24,25)
InChIKey QFXPVCDOALBRGI-UHFFFAOYSA-N
SMILES S(OC=1C=C2OC(C3=CC(OC)=C(OS(O)(=O)=O)C=C3)=CC(=O)C2=C(O)C1OC)(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 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate (CHEBI:187809) is a ether (CHEBI:25698)
6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate (CHEBI:187809) is a flavonoids (CHEBI:72544)
IUPAC Name
[5-hydroxy-6-methoxy-2-(3-methoxy-4-sulooxyphenyl)-4-oxochromen-7-yl] hydrogen sulate
Manual Xrefs Databases
24844160 ChemSpider
LMPK12111259 LIPID MAPS
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