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CHEBI:194506 - (11R)-methyl carlactonoate

ChEBI IDCHEBI:194506
ChEBI Name(11R)-methyl carlactonoate
Stars
ASCII Name(11R)-methyl carlactonoate
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCOC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1
InChIInChI=1S/C20H26O5/c1-13-7-6-10-20(3,4)16(13)9-8-15(19(22)23-5)12-24-17-11-14(2)18(21)25-17/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,15-12+/t17-/m1/s1
InChIKeyCKPATFHQOSFGEL-ULWPIZCHSA-N
ChEBI Ontology
Outgoing Relation(s)
(11R)-methyl carlactonoate (CHEBI:194506) has functional parent (11R)-carlactonoate (CHEBI:194504)
(11R)-methyl carlactonoate (CHEBI:194506) is a methyl ester (CHEBI:25248)
UniProt Name  Source
(11R)-methyl carlactonoateUniProt
Citations