EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171976 - Photocitral A

ChEBI IDCHEBI:171976
ChEBI NamePhotocitral A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESC=C(C)C1CCC(C)C1C=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3
InChIKeyJCDLXWAYWSJVTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Photocitral A (CHEBI:171976) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
Manual XrefsDatabases
HMDB0038290HMDB
92751ChemSpider
Registry NumbersSources
CAS:1753-98-6ChemIDplus