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CHEBI:189316 - Malyngolide

ChEBI IDCHEBI:189316
ChEBI NameMalyngolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30O3
Net Charge0
Average Mass270.413
Monoisotopic Mass270.21949
SMILESCCCCCCCCC[C@@]1(CO)CC[C@@H](C)C(=O)O1
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h14,17H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyOEXPVULGTKWKEH-ZBFHGGJFSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Malyngolide (CHEBI:189316) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3R,6S)-6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one
Manual XrefsDatabases
137119ChemSpider
Registry NumbersSources
CAS:71582-80-4ChemIDplus