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CHEBI:68747 - chaetocin

Default Structure
ChEBI IDCHEBI:68747
ChEBI Namechaetocin
Stars
DefinitionA natural product found in Chaetomium arcuatum.( Compound class : epipolythiodioxopiperazines)
DownloadsMolfile
FormulaC30H40N6O6S4
Net Charge0
Average Mass708.954
Monoisotopic Mass708.18922
SMILES[H]OC([H])([H])[C@]12SS[C@]3(C(=O)N1C([H])([H])[H])N(C2=O)[C@@]1([H])N([H])C2C([H])C([H])C([H])C([H])C2[C@@]1([C@]12[C@@H]4C([H])C([H])C([H])C([H])C4N([H])[C@@]1([H])N1C(=O)[C@@]4(C([H])([H])O[H])SS[C@@]1(C(=O)N4C([H])([H])[H])C2([H])[H])C3([H])[H]
InChIInChI=1S/C30H40N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h15-20,31-32,37-38H,3-14H2,1-2H3/t15?,16?,17?,18?,19-,20+,25+,26-,27-,28-,29-,30-/m1/s1
InChIKeyFRHWGROZSGBGCM-VPFBHKSNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium arcuatum (ncbitaxon:911086) - CiteXplore (c6148)
ChEBI Ontology
Outgoing Relation(s)
chaetocin (CHEBI:68747) has role metabolite (CHEBI:25212)
chaetocin (CHEBI:68747) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
141930ChemSpider
Citations