CHEBI:184520 - 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside

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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 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside
ChEBI ID CHEBI:184520
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O14
Net Charge 0
Average Mass 524.431
Monoisotopic Mass 524.11661
InChI InChI=1S/C23H24O14/c1-33-21-10(36-23-19(32)18(31)15(28)11(6-24)37-23)5-9-12(16(21)29)17(30)22(34-2)20(35-9)7-3-4-8(25)14(27)13(7)26/h3-5,11,15,18-19,23-29,31-32H,6H2,1-2H3/t11?,15-,18+,19?,23-/m1/s1
InChIKey VRDVBYFMIGJXEG-ACOOXCBMSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(OC)C3=O)C4=C(O)C(O)=C(O)C=C4)=C2)CO
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 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside (CHEBI:184520) is a flavonoids (CHEBI:72544)
5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside (CHEBI:184520) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24845608 ChemSpider
LMPK12113046 LIPID MAPS
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