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CHEBI:230299 - 3,4-Dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-cyclohexanone

ChEBI IDCHEBI:230299
ChEBI Name3,4-Dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-cyclohexanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCOC1C(=O)CCC(C)(O)C1(O)C1(C)OC1CC=C(C)C
InChIInChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3
InChIKeyUOXVFQCRPDLSFN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-cyclohexanone (CHEBI:230299) is a cyclitol (CHEBI:23451)
IUPAC Name 
3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
Manual XrefsDatabases
HMDB0246031HMDB
2527182ChemSpider