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CHEBI:226003 - Colletotrichamide C

ChEBI IDCHEBI:226003
ChEBI NameColletotrichamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56N2O11
Net Charge0
Average Mass680.836
Monoisotopic Mass680.38841
SMILESCCC(C)C1C(=O)OC(C(C)CCCC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC(O)CC(=O)NC(Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C35H56N2O11/c1-6-20(2)29-34(45)47-26(17-24(39)18-28(40)36-25(33(44)37(29)5)16-23-14-8-7-9-15-23)21(3)12-10-11-13-22(4)46-35-32(43)31(42)30(41)27(19-38)48-35/h7-9,14-15,20-22,24-27,29-32,35,38-39,41-43H,6,10-13,16-19H2,1-5H3,(H,36,40)/t20?,21?,22-,24?,25?,26?,27-,29?,30-,31+,32+,35-/m1/s1
InChIKeyHPPUILYZIHIGQH-OKMZIMIASA-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 C (CHEBI:226003) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide C (CHEBI:226003) is a glycoside (CHEBI:24400)
IUPAC Name 
6-benzyl-3-butan-2-yl-10-hydroxy-4-methyl-12-[(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