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CHEBI:133954 - carlosic acid methyl ester

ChEBI IDCHEBI:133954
ChEBI Namecarlosic acid methyl ester
Stars
DefinitionThe methyl ester of carlosic acid.
Last Modified17 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC11H14O6
Net Charge0
Average Mass242.227
Monoisotopic Mass242.07904
SMILESCCCC(=O)C1=C(O)[C@H](CC(=O)OC)OC1=O
InChIInChI=1S/C11H14O6/c1-3-4-6(12)9-10(14)7(17-11(9)15)5-8(13)16-2/h7,14H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyMQWPWZMHPWXSGL-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (25044953)
ChEBI Ontology
Outgoing Relation(s)
carlosic acid methyl ester (CHEBI:133954) has functional parent carlosic acid (CHEBI:133953)
carlosic acid methyl ester (CHEBI:133954) is a butenolide (CHEBI:50523)
carlosic acid methyl ester (CHEBI:133954) is a enol (CHEBI:33823)
carlosic acid methyl ester (CHEBI:133954) is a ketone (CHEBI:17087)
carlosic acid methyl ester (CHEBI:133954) is a methyl ester (CHEBI:25248)
carlosic acid methyl ester (CHEBI:133954) is a tetronic acid derivative (CHEBI:63455)
IUPAC Names 
methyl [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate
methyl [(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetate
Synonym  Source
(S)-carlosic acid methyl esterChEBI
Registry NumbersSources
Reaxys:3616485Reaxys
Citations