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CHEBI:211993 - Beauverolide Jb

ChEBI IDCHEBI:211993
ChEBI NameBeauverolide Jb
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46N4O5
Net Charge0
Average Mass602.776
Monoisotopic Mass602.34682
SMILESCCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)O1
InChIInChI=1S/C35H46N4O5/c1-5-6-12-23(4)31-20-32(40)37-29(19-25-21-36-27-16-11-10-15-26(25)27)34(42)38-28(18-24-13-8-7-9-14-24)33(41)39-30(17-22(2)3)35(43)44-31/h7-11,13-16,21-23,28-31,36H,5-6,12,17-20H2,1-4H3,(H,37,40)(H,38,42)(H,39,41)/t23-,28-,29-,30+,31-/m0/s1
InChIKeyOLNIDJKACOTPMU-NLBHBUGGSA-N
Species of MetaboliteComponentSourceComments
Cordyceps javanica (ncbitaxon:43265) - PubMed (31921369)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Beauverolide Jb (CHEBI:211993) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,9S,13S)-6-benzyl-13-[(2S)-hexan-2-yl]-9-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone