CHEBI:207598 - Macrolactin M

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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 Macrolactin M
ChEBI ID CHEBI:207598
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O5
Net Charge 0
Average Mass 416.558
Monoisotopic Mass 416.25627
InChI InChI=1S/C25H36O5/c1-2-24-18-12-5-3-4-8-16-22(27)20-23(28)17-11-6-9-14-21(26)15-10-7-13-19-25(29)30-24/h3-4,6-11,13-14,16,19,21-24,26-28H,2,5,12,15,17-18,20H2,1H3/b4-3+,10-7+,11-6-,14-9+,16-8+,19-13-
InChIKey PNIHJNURJFVDOY-RHVSHOKMSA-N
SMILES O=C1OC(CCCC=CC=CC(O)CC(O)CC=CC=CC(CC=CC=C1)O)CC
Metabolite of Species Details
Bacillusspecies PP19-H3 (NCBI:txid141646) See: PubMed
ChEBI Ontology
Outgoing Macrolactin M (CHEBI:207598) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,9E,11Z,17E,19E)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
Manual Xref Database
8063834 ChemSpider
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