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CHEBI:206815 - Beauvericin A

ChEBI IDCHEBI:206815
ChEBI NameBeauvericin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H59N3O9
Net Charge0
Average Mass797.990
Monoisotopic Mass797.42513
SMILESCCC(C)[C@H]1OC(=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)OC(=O)[C@@H](Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C46H59N3O9/c1-10-31(6)40-43(52)49(9)36(27-33-22-16-12-17-23-33)45(54)57-38(29(2)3)41(50)47(7)35(26-32-20-14-11-15-21-32)44(53)56-39(30(4)5)42(51)48(8)37(46(55)58-40)28-34-24-18-13-19-25-34/h11-25,29-31,35-40H,10,26-28H2,1-9H3/t31?,35-,36-,37-,38-,39-,40-/m1/s1
InChIKeyJQUGYVKOYKGIRB-FDSMQOSNSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - DOI (10.1021/np50119a012)
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 A (CHEBI:206815) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6R,9R,12R,15R,18R)-3,9,15-tribenzyl-6-butan-2-yl-4,10,16-trimethyl-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone