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CHEBI:224096 - Chetocochliodin A

ChEBI IDCHEBI:224096
ChEBI NameChetocochliodin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N3O4S
Net Charge0
Average Mass363.439
Monoisotopic Mass363.12528
SMILESCO[C@]1(Cc2cnc3ccccc23)NC(=O)[C@@](CO)(SC)N(C)C1=O
InChIInChI=1S/C17H21N3O4S/c1-20-15(23)16(24-2,19-14(22)17(20,10-21)25-3)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9,18,21H,8,10H2,1-3H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyRCJGYNNSLLJVEG-DLBZAZTESA-N
Species of MetaboliteComponentSourceComments
Chaetomium cochliodes (ncbitaxon:904709) - PubMed (32115958)
ChEBI Ontology
Outgoing Relation(s)
Chetocochliodin A (CHEBI:224096) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin A (CHEBI:224096) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin A (CHEBI:224096) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-3-methoxy-1-methyl-6-methylsulanylpiperazine-2,5-dione