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CHEBI:197561 - Beauvericin E

ChEBI IDCHEBI:197561
ChEBI NameBeauvericin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57N3O9
Net Charge0
Average Mass735.919
Monoisotopic Mass735.40948
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC1=O
InChIInChI=1S/C41H57N3O9/c1-24(2)21-30-39(48)52-34(26(5)6)37(46)44(10)32(23-29-19-15-12-16-20-29)41(50)53-35(27(7)8)38(47)43(9)31(22-28-17-13-11-14-18-28)40(49)51-33(25(3)4)36(45)42-30/h11-20,24-27,30-35H,21-23H2,1-10H3,(H,42,45)/t30-,31-,32-,33+,34+,35+/m0/s1
InChIKeyNNSMCJXCEMTDJF-DULUVLRMSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (15112959)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Beauvericin E (CHEBI:197561) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10-dimethyl-15-(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
2277523ChemSpider