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CHEBI:207307 - Beauveriolide III

ChEBI IDCHEBI:207307
ChEBI NameBeauveriolide III
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41N3O5
Net Charge0
Average Mass487.641
Monoisotopic Mass487.30462
SMILESCCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@H](C)CC)C(=O)O1
InChIInChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18+,19+,21+,22+,24-/m1/s1
InChIKeyVEELKRGSLCNVAR-GXBUOAPDSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (10092189)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Beauveriolide III (CHEBI:207307) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,9S,13S)-9-benzyl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Manual XrefsDatabases
8752324ChemSpider