CHEBI:185611 - Lupinisoflavone M

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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 Lupinisoflavone M
ChEBI ID CHEBI:185611
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O8
Net Charge 0
Average Mass 456.491
Monoisotopic Mass 456.17842
InChI InChI=1S/C25H28O8/c1-24(2,30)19(27)9-14-16(26)10-18-21(22(14)28)23(29)15(11-32-18)12-5-6-17-13(7-12)8-20(33-17)25(3,4)31/h5-7,10-11,19-20,26-28,30-31H,8-9H2,1-4H3
InChIKey IXEGNYHOJYAEHW-UHFFFAOYSA-N
SMILES O1C(C(O)(C)C)CC2=C1C=CC(=C2)C=3C(=O)C=4C(O)=C(CC(O)C(O)(C)C)C(O)=CC4OC3
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 Lupinisoflavone M (CHEBI:185611) is a isoflavanones (CHEBI:38741)
IUPAC Name
6-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-3-[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]chromen-4-one
Manual Xrefs Databases
24842766 ChemSpider
LMPK12050183 LIPID MAPS
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