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CHEBI:207186 - 4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone

Default Structure
ChEBI IDCHEBI:207186
ChEBI Name4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESCC(CC(O)CC[C@H]1OC(=O)[C@@H]1C)OC=O
InChIInChI=1S/C11H18O5/c1-7(15-6-12)5-9(13)3-4-10-8(2)11(14)16-10/h6-10,13H,3-5H2,1-2H3/t7?,8-,9?,10-/m1/s1
InChIKeyQOJDJYDRXZTLLL-QLVNRRSVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies T1B1 (ncbitaxon:1285899) - DOI (10.1016/j.phytol.2013.08.007)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone (CHEBI:207186) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[4-hydroxy-6-[(2R,3R)-3-methyl-4-oxooxetan-2-yl]hexan-2-yl] ormate
Manual XrefsDatabases
78441466ChemSpider