EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202110 - Nakienone A

ChEBI IDCHEBI:202110
ChEBI NameNakienone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O3
Net Charge0
Average Mass194.230
Monoisotopic Mass194.09429
SMILESC=C/C=C(/CO)C1=C(CO)CCC1=O
InChIInChI=1S/C11H14O3/c1-2-3-8(6-12)11-9(7-13)4-5-10(11)14/h2-3,12-13H,1,4-7H2/b8-3-
InChIKeyFLIOPQJLDGGJFK-BAQGIRSFSA-N
Species of MetaboliteComponentSourceComments
Synechocystisspecies (ncbitaxon:1143) - DOI (10.1016/0040-4039(94)02397-t)
ChEBI Ontology
Outgoing Relation(s)
Nakienone A (CHEBI:202110) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
3-(hydroxymethyl)-2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one
Manual XrefsDatabases
8188429ChemSpider