CHEBI:226180 - Nonactic acid-trihomononactic acid dilactone

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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 Nonactic acid-trihomononactic acid dilactone
ChEBI ID CHEBI:226180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H38O6
Net Charge 0
Average Mass 410.551
Monoisotopic Mass 410.26684
InChI InChI=1S/C23H38O6/c1-6-7-18-14(3)19-10-11-21(28-19)16(5)22(24)26-13(2)12-17-8-9-20(27-17)15(4)23(25)29-18/h13-21H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey TUEIVMZOUQSYJA-XFHAOOBSSA-N
SMILES O=C1O[C@H]([C@@H]([C@H]2O[C@@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H]1C)CC3)C)C)CC2)C)CCC
Metabolite of Species Details
Streptomyces globisporus (NCBI:txid1908) See: DOI
ChEBI Ontology
Outgoing Nonactic acid-trihomononactic acid dilactone (CHEBI:226180) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
9352443 ChemSpider
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