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CHEBI:224107 - Chetocochliodin C

ChEBI IDCHEBI:224107
ChEBI NameChetocochliodin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O4S
Net Charge0
Average Mass349.412
Monoisotopic Mass349.10963
SMILESCO[C@]1(Cc2cnc3ccccc23)NC(=O)[C@@](CO)(SC)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-23-15(7-10-8-17-12-6-4-3-5-11(10)12)13(21)19-16(9-20,24-2)14(22)18-15/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16+/m0/s1
InChIKeyYGHYUNOVXLIFHZ-JKSUJKDBSA-N
Species of MetaboliteComponentSourceComments
Chaetomium cochliodes (ncbitaxon:904709) - PubMed (32115958)
ChEBI Ontology
Outgoing Relation(s)
Chetocochliodin C (CHEBI:224107) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin C (CHEBI:224107) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin C (CHEBI:224107) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-6-methoxy-3-methylsulanylpiperazine-2,5-dione