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CHEBI:208739 - Scopularide F

ChEBI IDCHEBI:208739
ChEBI NameScopularide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H65N5O7
Net Charge0
Average Mass727.988
Monoisotopic Mass727.48840
SMILESCCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChIInChI=1S/C40H65N5O7/c1-9-11-12-14-17-27(7)21-28(8)33-23-34(46)41-24-35(47)45-36(26(5)6)39(50)43-31(20-25(3)4)38(49)42-30(10-2)37(48)44-32(40(51)52-33)22-29-18-15-13-16-19-29/h13,15-16,18-19,25-28,30-33,36H,9-12,14,17,20-24H2,1-8H3,(H,41,46)(H,42,49)(H,43,50)(H,44,48)(H,45,47)/t27-,28-,30-,31+,32-,33-,36-/m0/s1
InChIKeyDFFYMZZNXYPOIR-XRLGKLQESA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (31426405)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scopularide F (CHEBI:208739) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12S,19S)-3-benzyl-6-ethyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
77006270ChemSpider