EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206658 - Fusaridioic acid B

ChEBI IDCHEBI:206658
ChEBI NameFusaridioic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O6
Net Charge0
Average Mass328.405
Monoisotopic Mass328.18859
SMILESCC(=CC(=O)O)C=C(C)CCCCCC[C@H](O)[C@H](CO)C(=O)O
InChIInChI=1S/C17H28O6/c1-12(9-13(2)10-16(20)21)7-5-3-4-6-8-15(19)14(11-18)17(22)23/h9-10,14-15,18-19H,3-8,11H2,1-2H3,(H,20,21)(H,22,23)/t14-,15-/m0/s1
InChIKeyOEBUJDRTQIBBBJ-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (30785752)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fusaridioic acid B (CHEBI:206658) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(12S,13S)-12-hydroxy-13-(hydroxymethyl)-3,5-dimethyltetradeca-2,4-dienedioic acid