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CHEBI:95182 - 2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester

ChEBI IDCHEBI:95182
ChEBI Name2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
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DownloadsMolfile
FormulaC25H38O5
Net Charge0
Average Mass418.574
Monoisotopic Mass418.27192
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC(O)CC(=O)O3)C21
InChIInChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15?,16-,18?,19+,20-,21?,23?/m0/s1
InChIKeyRYMZZMVNJRMUDD-FQNILSBVSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (CHEBI:95182) is a δ-lactone (CHEBI:18946)
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