EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182469 - Albocycline

ChEBI IDCHEBI:182469
ChEBI NameAlbocycline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C/1C
InChIInChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
InChIKeyBYWWNDLILWPPJP-REXWONOSSA-N
ChEBI Ontology
Outgoing Relation(s)
Albocycline (CHEBI:182469) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
Manual XrefsDatabases
4945205ChemSpider
Registry NumbersSources
CAS:25129-91-3ChemIDplus