EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226547 - 18-acetylcyclooctatin

ChEBI IDCHEBI:226547
ChEBI Name18-acetylcyclooctatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESCC(=O)OC[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@@]1(C)CC[C@H](C(C)C)/C1=C/C[C@]2(C)O
InChIInChI=1S/C22H36O4/c1-13(2)16-6-8-21(4)11-17-15(12-26-14(3)23)10-19(24)20(17)22(5,25)9-7-18(16)21/h7,13,15-17,19-20,24-25H,6,8-12H2,1-5H3/b18-7-/t15-,16+,17+,19+,20-,21+,22-/m0/s1
InChIKeyIGDSFDJTJMVTDM-KBSBJJLISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2019.01.025)
ChEBI Ontology
Outgoing Relation(s)
18-acetylcyclooctatin (CHEBI:226547) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[(1R,3R,4R,6R,7S,8S,10Z,12R)-6,8-dihydroxy-1,8-dimethyl-12-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradec-10-enyl]methyl acetate
Manual XrefsDatabases
71115978ChemSpider