EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176009 - Cohibin A

ChEBI IDCHEBI:176009
ChEBI NameCohibin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O4
Net Charge0
Average Mass548.893
Monoisotopic Mass548.48046
SMILESCCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
InChIInChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-/t31-,33+,34+/m0/s1
InChIKeyGFUJWCRMULHYHE-HGDVOXMMSA-N
ChEBI Ontology
Outgoing Relation(s)
Cohibin A (CHEBI:176009) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
103882703ChemSpider