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CHEBI:219221 - Desmethylisaridin C2

ChEBI IDCHEBI:219221
ChEBI NameDesmethylisaridin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N5O7
Net Charge0
Average Mass655.837
Monoisotopic Mass655.39450
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]2[C@@H](C)CCN2C1=O
InChIInChI=1S/C35H53N5O7/c1-20(2)18-26-34(45)40-17-15-23(7)30(40)33(44)37-25(19-24-12-10-9-11-13-24)31(42)38-28(21(3)4)35(46)39(8)29(22(5)6)32(43)36-16-14-27(41)47-26/h9-13,20-23,25-26,28-30H,14-19H2,1-8H3,(H,36,43)(H,37,44)(H,38,42)/t23-,25-,26-,28-,29-,30-/m0/s1
InChIKeyYCGVVPXVWFYGHR-QUODLWGASA-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 C2 (CHEBI:219221) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S,20S)-16-benzyl-11,20-dimethyl-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
30823253ChemSpider