CHEBI:171914 - Isocitral

ChEBI IDCHEBI:171914
ChEBI NameIsocitral
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC(C)=CC/C=C(\C)CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+
InChIKeyOJLMARCQPSGYNE-UXBLZVDNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Isocitral (CHEBI:171914) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3E)-3,7-dimethylocta-3,6-dienal
Manual XrefsDatabases
4934306ChemSpider
HMDB0030893HMDB
Registry NumbersSources
CAS:1754-00-3ChemIDplus