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CHEBI:226008 - Colletotrichamide D

ChEBI IDCHEBI:226008
ChEBI NameColletotrichamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58N2O11
Net Charge0
Average Mass694.863
Monoisotopic Mass694.40406
SMILESCC(C)C[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C36H58N2O11/c1-20(2)16-26-35(46)48-28(21(3)12-10-11-13-22(4)47-36-32(43)31(42)30(41)29(19-39)49-36)18-27(40)23(5)33(44)37-25(34(45)38(26)6)17-24-14-8-7-9-15-24/h7-9,14-15,20-23,25-32,36,39-43H,10-13,16-19H2,1-6H3,(H,37,44)/t21-,22+,23+,25+,26-,27+,28-,29+,30+,31-,32-,36+/m0/s1
InChIKeyVDQDKIJMODEVDF-IZIMMZBXSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (31430150)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Colletotrichamide D (CHEBI:226008) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide D (CHEBI:226008) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-4,9-dimethyl-3-(2-methylpropyl)-12-[(2S,7R)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-1-oxa-4,7-diazacyclododecane-2,5,8-trione