CHEBI:205560 - Macrolactin X

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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 X
ChEBI ID CHEBI:205560
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/c1-18-9-8-13-20(26)15-16-22-23(30-22)17-21(27)12-6-2-4-10-19(25)11-5-3-7-14-24(28)29-18/h2-7,10,14-16,18-23,25-27H,8-9,11-13,17H2,1H3/b5-3+,6-2-,10-4+,14-7-,16-15+/t18-,19+,20+,21-,22-,23+/m0/s1
InChIKey VVRKWIBFHMTNFW-IOJFOWPJSA-N
SMILES O=C1O[C@H](CCC[C@@H](O)C=C[C@@H]2O[C@@H]2C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
ChEBI Ontology
Outgoing Macrolactin X (CHEBI:205560) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2E,4R,8S,11Z,13E,16S,17E,19Z,22S,24R)-4,16,22-trihydroxy-8-methyl-9,25-dioxabicyclo[22.1.0]pentacosa-2,11,13,17,19-pentaen-10-one
Manual Xref Database
78439705 ChemSpider
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