EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211587 - Ochracine B

ChEBI IDCHEBI:211587
ChEBI NameOchracine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O4
Net Charge0
Average Mass258.358
Monoisotopic Mass258.18311
SMILESC[C@@H](O)[C@]1(O)CCC(C)(C)/C(=C/C[C@@H](O)CO)C1
InChIInChI=1S/C14H26O4/c1-10(16)14(18)7-6-13(2,3)11(8-14)4-5-12(17)9-15/h4,10,12,15-18H,5-9H2,1-3H3/b11-4+/t10-,12-,14+/m1/s1
InChIKeySEHYDASJUXGREN-KUACZAJLSA-N
Species of MetaboliteComponentSourceComments
Steccherinum ochraceum (ncbitaxon:92696) - PubMed (31629052)
ChEBI Ontology
Outgoing Relation(s)
Ochracine B (CHEBI:211587) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,4E)-4-[(5S)-5-hydroxy-5-[(1R)-1-hydroxyethyl]-2,2-dimethylcyclohexylidene]butane-1,2-diol