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CHEBI:226104 - 9-epi-sacrolide A

ChEBI IDCHEBI:226104
ChEBI Name9-epi-sacrolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCC/C=C\C[C@H]1OC(=O)CCCCCCC[C@H](O)/C=C/C1=O
InChIInChI=1S/C18H28O4/c1-2-3-7-11-17-16(20)14-13-15(19)10-8-5-4-6-9-12-18(21)22-17/h3,7,13-15,17,19H,2,4-6,8-12H2,1H3/b7-3-,14-13+/t15-,17+/m0/s1
InChIKeyUYLKXNMQPMQPNW-JAYJKSFCSA-N
Species of MetaboliteComponentSourceComments
Aphanothece sacrum (ncbitaxon:1122) - PubMed (28270686)
ChEBI Ontology
Outgoing Relation(s)
9-epi-sacrolide A (CHEBI:226104) is a macrolide (CHEBI:25106)
IUPAC Name 
(10S,11E,14R)-10-hydroxy-14-[(Z)-pent-2-enyl]-1-oxacyclotetradec-11-ene-2,13-dione
Manual XrefsDatabases
78438807ChemSpider