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CHEBI:202681 - Desmethyldestruxin B2

ChEBI IDCHEBI:202681
ChEBI NameDesmethyldestruxin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45N5O7
Net Charge0
Average Mass551.685
Monoisotopic Mass551.33190
SMILESCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C27H45N5O7/c1-8-18-24(35)30-22(16(4)5)27(38)31(7)17(6)23(34)28-12-11-21(33)39-20(14-15(2)3)26(37)32-13-9-10-19(32)25(36)29-18/h15-20,22H,8-14H2,1-7H3,(H,28,34)(H,29,36)(H,30,35)/t17-,18-,19-,20+,22-/m0/s1
InChIKeyDXGREKPJNZCYLD-UERWRGBPSA-N
Species of MetaboliteComponentSourceComments
Metarhizium anisopliae (ncbitaxon:5530) - DOI (10.1021/np50118a007)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desmethyldestruxin B2 (CHEBI:202681) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,10S,13S,16S,19S)-16-ethyl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
24716463ChemSpider