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CHEBI:224112 - Chetocochliodin D

ChEBI IDCHEBI:224112
ChEBI NameChetocochliodin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O4S
Net Charge0
Average Mass349.412
Monoisotopic Mass349.10963
SMILESCO[C@]1(CO)NC(=O)[C@](Cc2cnc3ccccc23)(SC)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-23-15(9-20)13(21)19-16(24-2,14(22)18-15)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16-/m0/s1
InChIKeyBXKVFFZQQTUGJE-HOTGVXAUSA-N
Species of MetaboliteComponentSourceComments
Chaetomium cochliodes (ncbitaxon:904709) - PubMed (32115958)
ChEBI Ontology
Outgoing Relation(s)
Chetocochliodin D (CHEBI:224112) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin D (CHEBI:224112) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin D (CHEBI:224112) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-3-methoxy-6-methylsulanylpiperazine-2,5-dione