EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205502 - Neomethynolide

ChEBI IDCHEBI:205502
ChEBI NameNeomethynolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCC1CC(C)C(O)C(C)C(=O)OC(C(C)O)C(C)/C=C/C1=O
InChIInChI=1S/C17H28O5/c1-9-6-7-14(19)10(2)8-11(3)15(20)12(4)17(21)22-16(9)13(5)18/h6-7,9-13,15-16,18,20H,8H2,1-5H3/b7-6+
InChIKeyBZXWGQHZMYPAJO-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4843051)
ChEBI Ontology
Outgoing Relation(s)
Neomethynolide (CHEBI:205502) is a macrolide (CHEBI:25106)
IUPAC Name 
(9E)-4-hydroxy-12-(1-hydroxyethyl)-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Manual XrefsDatabases
78444115ChemSpider