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CHEBI:218080 - Borrelidin L

ChEBI IDCHEBI:218080
ChEBI NameBorrelidin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO7
Net Charge0
Average Mass505.652
Monoisotopic Mass505.30395
SMILESC[C@@H]1C[C@H](C)[C@H](O)[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C1
InChIInChI=1S/C28H43NO7/c1-16-12-17(2)26(32)19(4)23(30)14-25(31)36-24(21-9-7-10-22(21)28(34)35)11-6-5-8-20(15-29)27(33)18(3)13-16/h5-6,8,16-19,21-24,26-27,30,32-33H,7,9-14H2,1-4H3,(H,34,35)/t16-,17+,18+,19-,21-,22-,23+,24+,26+,27-/m1/s1
InChIKeySIOKKMJNZJVHPS-VTKHTTOASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2018.11.023)
ChEBI Ontology
Outgoing Relation(s)
Borrelidin L (CHEBI:218080) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R)-2-[(2S,8R,9S,11R,13S,14S,15R,16S)-7-cyano-8,14,16-trihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid