CHEBI:187530 - Flavaprenin 7,4'-diglucoside

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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 Flavaprenin 7,4'-diglucoside
ChEBI ID CHEBI:187530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H40O15
Net Charge 0
Average Mass 664.657
Monoisotopic Mass 664.23672
InChI InChI=1S/C32H40O15/c1-13(2)3-8-16-20(45-32-29(42)27(40)25(38)22(12-34)47-32)10-18(36)23-17(35)9-19(44-30(16)23)14-4-6-15(7-5-14)43-31-28(41)26(39)24(37)21(11-33)46-31/h3-7,10,19,21-22,24-29,31-34,36-42H,8-9,11-12H2,1-2H3
InChIKey SWHOWAZBASIDAD-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CC(=O)C3C(O)=C2)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)CC=C(C)C)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 Flavaprenin 7,4'-diglucoside (CHEBI:187530) is a flavonoids (CHEBI:72544)
Flavaprenin 7,4'-diglucoside (CHEBI:187530) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846347 ChemSpider
LMPK12140228 LIPID MAPS
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