EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220072 - Ebelactone B

ChEBI IDCHEBI:220072
ChEBI NameEbelactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O4
Net Charge0
Average Mass352.515
Monoisotopic Mass352.26136
SMILESCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1CC
InChIInChI=1S/C21H36O4/c1-8-13(4)18(22)16(7)19(23)14(5)10-12(3)11-15(6)20-17(9-2)21(24)25-20/h10,13-18,20,22H,8-9,11H2,1-7H3/b12-10+/t13-,14-,15+,16+,17+,18-,20+/m1/s1
InChIKeyUNBMQQNYLCPCHS-VYNDPHDASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7161188)
ChEBI Ontology
Outgoing Relation(s)
Ebelactone B (CHEBI:220072) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3S,4S)-3-ethyl-4-[(E,2S,6R,8S,9R,10R)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]oxetan-2-one
Manual XrefsDatabases
4941432ChemSpider