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CHEBI:125479 - (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester

ChEBI IDCHEBI:125479
ChEBI Name(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
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DownloadsMolfile
FormulaC23H36O4
Net Charge0
Average Mass376.537
Monoisotopic Mass376.26136
SMILESCC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CCO3)[C@H]21
InChIInChI=1S/C23H36O4/c1-4-15(2)23(25)27-21-7-5-6-17-9-8-16(3)20(22(17)21)11-10-19-14-18(24)12-13-26-19/h6,8-9,15-16,18-22,24H,4-5,7,10-14H2,1-3H3/t15-,16-,18-,19+,20-,21-,22-/m0/s1
InChIKeyPCRLJXQATRCBPW-SOWWUCBVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (CHEBI:125479) is a fatty acid ester (CHEBI:35748)
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