EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224147 - Cochliobolin B

ChEBI IDCHEBI:224147
ChEBI NameCochliobolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O4
Net Charge0
Average Mass294.391
Monoisotopic Mass294.18311
SMILESCC(=O)OC[C@H]1[C@H]2C(C(=O)O)=C(C)[C@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C17H26O4/c1-9(2)12-6-7-17(5)10(3)14(16(19)20)15(12)13(17)8-21-11(4)18/h9,12-13,15H,6-8H2,1-5H3,(H,19,20)/t12-,13+,15+,17+/m1/s1
InChIKeySTMCXNFHLVEBGC-RMRKRWHISA-N
Species of MetaboliteComponentSourceComments
Bipolaris sorokiniana (ncbitaxon:45130) - PubMed (32302133)
ChEBI Ontology
Outgoing Relation(s)
Cochliobolin B (CHEBI:224147) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,5S,8S)-8-(acetyloxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carboxylic acid