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CHEBI:169072 - (-)-trans-C75

ChEBI IDCHEBI:169072
ChEBI Name(-)-trans-C75
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC=C1C(=O)O[C@@H](CCCCCCCC)C1C(=O)O
InChIInChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12?/m0/s1
InChIKeyVCWLZDVWHQVAJU-PXYINDEMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(-)-trans-C75 (CHEBI:169072) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(2S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Manual XrefsDatabases
23246866ChemSpider