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CHEBI:181145 - Methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate

ChEBI IDCHEBI:181145
ChEBI NameMethyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39NO6
Net Charge0
Average Mass449.588
Monoisotopic Mass449.27774
SMILESCOC(=O)/C=C/C(O)C(O)CC/C(C)=C/C1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12O
InChIInChI=1S/C25H39NO6/c1-14(2)11-19-23-17(5)16(4)13-18(25(23,31)24(30)26-19)12-15(3)7-8-20(27)21(28)9-10-22(29)32-6/h9-10,12-14,17-21,23,27-28,31H,7-8,11H2,1-6H3,(H,26,30)/b10-9+,15-12+
InChIKeyYUXUTEAAGHFKKH-MKQCFFQWSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate (CHEBI:181145) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (2E,8E)-9-[3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate
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