CHEBI:186754 - Gossypetin 7,8-dimethyl ether 4'-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 Gossypetin 7,8-dimethyl ether 4'-glucoside
ChEBI ID CHEBI:186754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O13
Net Charge 0
Average Mass 508.432
Monoisotopic Mass 508.12169
InChI InChI=1S/C23H24O13/c1-32-12-6-10(26)14-16(28)18(30)20(36-22(14)21(12)33-2)8-3-4-11(9(25)5-8)34-23-19(31)17(29)15(27)13(7-24)35-23/h3-6,13,15,17,19,23-27,29-31H,7H2,1-2H3/t13?,15-,17?,19?,23-/m1/s1
InChIKey JQTSPDOLJNZJQH-AXWLHTBJSA-N
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(O)C=C(C=C2)C=3OC4=C(C(=O)C3O)C(O)=CC(OC)=C4OC)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 Gossypetin 7,8-dimethyl ether 4'-glucoside (CHEBI:186754) is a flavonoids (CHEBI:72544)
Gossypetin 7,8-dimethyl ether 4'-glucoside (CHEBI:186754) is a glycoside (CHEBI:24400)
IUPAC Name
3,5-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one
Manual Xrefs Databases
24845738 ChemSpider
LMPK12113207 LIPID MAPS
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