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CHEBI:201354 - Desmethylisaridin E

ChEBI IDCHEBI:201354
ChEBI NameDesmethylisaridin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H51N5O7
Net Charge0
Average Mass641.810
Monoisotopic Mass641.37885
SMILESCC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C34H51N5O7/c1-20(2)18-26-33(44)39-17-11-14-25(39)31(42)36-24(19-23-12-9-8-10-13-23)30(41)37-28(21(3)4)34(45)38(7)29(22(5)6)32(43)35-16-15-27(40)46-26/h8-10,12-13,20-22,24-26,28-29H,11,14-19H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)/t24-,25-,26-,28-,29-/m0/s1
InChIKeyRCPWUQRPXYBTHY-PWOFSUAHSA-N
Species of MetaboliteComponentSourceComments
Beauveria felina (ncbitaxon:37994) - PubMed (23822585)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desmethylisaridin E (CHEBI:201354) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-16-benzyl-11-methyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
29784865ChemSpider