EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207774 - Cladosporacid D

Default Structure
ChEBI IDCHEBI:207774
ChEBI NameCladosporacid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCC(O)CC(O)C/C=C/C(O)C/C=C/C(=O)O
InChIInChI=1S/C12H20O5/c1-9(13)8-11(15)6-2-4-10(14)5-3-7-12(16)17/h2-4,7,9-11,13-15H,5-6,8H2,1H3,(H,16,17)/b4-2+,7-3+
InChIKeyGYCNQRMRQBSBDH-JKEDICHKSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (28847042)
ChEBI Ontology
Outgoing Relation(s)
Cladosporacid D (CHEBI:207774) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2E,6E)-5,9,11-trihydroxydodeca-2,6-dienoic acid
Manual XrefsDatabases
64063734ChemSpider