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CHEBI:222529 - Bionectin D

ChEBI IDCHEBI:222529
ChEBI NameBionectin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19N3O3S
Net Charge0
Average Mass333.413
Monoisotopic Mass333.11471
SMILESCS[C@]1(Cc2cnc3ccccc23)NC(=O)[C@H](C(C)O)NC1=O
InChIInChI=1S/C16H19N3O3S/c1-9(20)13-14(21)19-16(23-2,15(22)18-13)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13,17,20H,7H2,1-2H3,(H,18,22)(H,19,21)/t9?,13-,16-/m0/s1
InChIKeyJHVDPKPGLJIADF-LCQZPTMYSA-N
Species of MetaboliteComponentSourceComments
Clonostachysspecies Y1085 (ncbitaxon:2213019) - PubMed (31324892)
ChEBI Ontology
Outgoing Relation(s)
Bionectin D (CHEBI:222529) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,6S)-6-(1-hydroxyethyl)-3-(1H-indol-3-ylmethyl)-3-methylsulanylpiperazine-2,5-dione