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CHEBI:169934 - (5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one

ChEBI IDCHEBI:169934
ChEBI Name(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one
Stars
ASCII Name(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one
DefinitionCompound 8 in ref.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H39NO2
Net Charge0
Average Mass397.603
Monoisotopic Mass397.29808
SMILES[H][C@@]12CC[C@@H](C)C[C@@]1(C)C=C(C)[C@@H](/C(C)=C/C)[C@H]2C(=O)C1=C[C@H](CC(C)C)NC1=O
InChIInChI=1S/C26H39NO2/c1-8-17(5)22-18(6)14-26(7)13-16(4)9-10-21(26)23(22)24(28)20-12-19(11-15(2)3)27-25(20)29/h8,12,14-16,19,21-23H,9-11,13H2,1-7H3,(H,27,29)/b17-8+/t16-,19+,21+,22-,23+,26+/m1/s1
InChIKeyDBHUBRADIOMJGQ-YMBOSVBOSA-N
ChEBI Ontology
Outgoing Relation(s)
(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one (CHEBI:169934) has functional parent myceliothermophin E (CHEBI:167709)
(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one (CHEBI:169934) is a hexahydronaphthalenes (CHEBI:142348)
(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one (CHEBI:169934) is a polyketide (CHEBI:26188)
UniProt Name  Source
(5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-oneUniProt
Citations