CHEBI:200065 - Macrolactin S

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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 S
ChEBI ID CHEBI:200065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.530
Monoisotopic Mass 418.23554
InChI InChI=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
InChIKey NRAXHZVAYZPXKQ-OOYIDZMOSA-N
SMILES O=C1O[C@@H](CCCC=CC=C[C@H](O)C[C@@H](O)[C@H](C=CC=C[C@H](CC=CC=C1)O)O)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing 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