CHEBI:226104 - 9-epi-sacrolide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9-epi-sacrolide A
ChEBI ID CHEBI:226104
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28O4
Net Charge 0
Average Mass 308.418
Monoisotopic Mass 308.19876
InChI InChI=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
InChIKey UYLKXNMQPMQPNW-JAYJKSFCSA-N
SMILES O=C1C=C[C@@H](O)CCCCCCCC(O[C@@H]1C/C=C\CC)=O
Metabolite of Species Details
Aphanothece sacrum (NCBI:txid1122) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438807 ChemSpider
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