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CHEBI:223509 - Izumenolide

ChEBI IDCHEBI:223509
ChEBI NameIzumenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74O14S3
Net Charge0
Average Mass875.219
Monoisotopic Mass874.42407
SMILESC/C=C\CCCCCC[C@@H](C[C@@H]1CCCCCCCCCCC[C@H](OS(=O)(=O)O)C[C@H](OS(=O)(=O)O)CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)O
InChIInChI=1S/C40H74O14S3/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b3-2-,33-28+/t36-,37-,38+,39-/m0/s1
InChIKeyZIKVIJYTFFPQEA-JCXBUXNXSA-N
Species of MetaboliteComponentSourceComments
Micromonospora chalcea subsp. izumensis (ncbitaxon:2008351) - PubMed (6972938)
ChEBI Ontology
Outgoing Relation(s)
Izumenolide (CHEBI:223509) is a macrolide (CHEBI:25106)
IUPAC Name 
[(Z,2S)-1-[(2S,14S,16R,28E)-30-oxo-14,16-disulooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] hydrogen sulate
Manual XrefsDatabases
78443101ChemSpider