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CHEBI:200065 - Macrolactin S

Default Structure
ChEBI IDCHEBI:200065
ChEBI NameMacrolactin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESC[C@@H]1CCCC=CC=C[C@H](O)C[C@@H](O)[C@@H](O)C=CC=C[C@@H](O)CC=CC=CC(=O)O1
InChIInChI=1S/C24H34O6/c1-19-12-6-3-2-4-7-15-21(26)18-23(28)22(27)16-11-10-14-20(25)13-8-5-9-17-24(29)30-19/h2,4-5,7-11,14-17,19-23,25-28H,3,6,12-13,18H2,1H3/t19-,20+,21+,22+,23-/m1/s1
InChIKeyNRAXHZVAYZPXKQ-OOYIDZMOSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (19168985)
ChEBI Ontology
Outgoing Relation(s)
Macrolactin S (CHEBI:200065) is a macrolide (CHEBI:25106)
IUPAC Name 
(8S,13S,14R,16R,24R)-8,13,14,16-tetrahydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one