EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202576 - Okilactomycin A

ChEBI IDCHEBI:202576
ChEBI NameOkilactomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
SMILESC[C@@H]1CCC[C@H]2C=C(C(=O)O)[C@@H](C)C[C@]23OC(=O)[C@@]2(C)C(=O)[C@@H](CO)[C@H](O[C@H]23)[C@H](C)C1
InChIInChI=1S/C24H34O7/c1-12-6-5-7-15-9-16(20(27)28)14(3)10-24(15)21-23(4,22(29)31-24)19(26)17(11-25)18(30-21)13(2)8-12/h9,12-15,17-18,21,25H,5-8,10-11H2,1-4H3,(H,27,28)/t12-,13-,14+,15+,17+,18-,21-,23+,24+/m1/s1
InChIKeyHGKUHIRTTIFEDN-UTSAFVJLSA-N
Species of MetaboliteComponentSourceComments
Embleya scabrispora (ncbitaxon:159449) - PubMed (19132063)
ChEBI Ontology
Outgoing Relation(s)
Okilactomycin A (CHEBI:202576) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,3S,6S,10R,12R,13R,14S,16R,19R)-14-(hydroxymethyl)-3,10,12,16-tetramethyl-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-ene-4-carboxylic acid
Manual XrefsDatabases
78440139ChemSpider