EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201346 - (E,9S)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one

ChEBI IDCHEBI:201346
ChEBI Name(E,9S)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCCCC(=O)CC/C=C/[C@H](O)C1OC1CO
InChIInChI=1S/C12H20O4/c1-2-5-9(14)6-3-4-7-10(15)12-11(8-13)16-12/h4,7,10-13,15H,2-3,5-6,8H2,1H3/b7-4+/t10-,11?,12?/m0/s1
InChIKeyPQVKXVOYEJFIAJ-PTZSDZCUSA-N
Species of MetaboliteComponentSourceComments
Menisporopsis (ncbitaxon:752603) - PubMed (17067151)
ChEBI Ontology
Outgoing Relation(s)
(E,9S)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one (CHEBI:201346) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(E,9S)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
Manual XrefsDatabases
78436753ChemSpider