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CHEBI:217721 - Beauvericin F

ChEBI IDCHEBI:217721
ChEBI NameBeauvericin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H59N3O9
Net Charge0
Average Mass797.990
Monoisotopic Mass797.42513
SMILESCC(C)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/c1-29(2)25-38-41(50)47(7)36(27-33-21-15-11-16-22-33)45(54)57-40(31(5)6)43(52)49(9)37(28-34-23-17-12-18-24-34)46(55)58-39(30(3)4)42(51)48(8)35(44(53)56-38)26-32-19-13-10-14-20-32/h10-24,29-31,35-40H,25-28H2,1-9H3/t35-,36-,37-,38+,39+,40+/m0/s1
InChIKeyBYOYAJKWOUOWBH-MGTGDHFRSA-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 F (CHEBI:217721) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6-(2-methylpropyl)-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
2277524ChemSpider