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CHEBI:204171 - Desmethylisaridin G

ChEBI IDCHEBI:204171
ChEBI NameDesmethylisaridin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53N5O8
Net Charge0
Average Mass671.836
Monoisotopic Mass671.38941
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC1=O
InChIInChI=1S/C35H53N5O8/c1-20(2)17-25-31(43)36-15-14-29(42)48-28(18-21(3)4)35(47)40-16-8-9-27(40)32(44)38-26(19-23-10-12-24(41)13-11-23)34(46)39(7)30(22(5)6)33(45)37-25/h10-13,20-22,25-28,30,41H,8-9,14-19H2,1-7H3,(H,36,43)(H,37,45)(H,38,44)/t25-,26-,27-,28-,30-/m0/s1
InChIKeyHHULIGBQYWXQSW-KGEMVMTLSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (24742254)
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 G (CHEBI:204171) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-16-[(4-hydroxyphenyl)methyl]-14-methyl-3,10-bis(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
32674905ChemSpider