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CHEBI:217687 - Eutypellazine N

ChEBI IDCHEBI:217687
ChEBI NameEutypellazine N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O3S2
Net Charge0
Average Mass388.514
Monoisotopic Mass388.09153
SMILESCS[C@@]1(Cc2ccccc2)NC(=O)[C@]2(CC3=CC=C[C@H](O)[C@H]3S2)NC1=O
InChIInChI=1S/C19H20N2O3S2/c1-25-18(10-12-6-3-2-4-7-12)16(23)21-19(17(24)20-18)11-13-8-5-9-14(22)15(13)26-19/h2-9,14-15,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t14-,15-,18+,19+/m0/s1
InChIKeyGPTODGSXTKNMCC-ILRDRHFLSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies (ncbitaxon:1715228) - DOI (10.1016/j.tetlet.2017.08.015)
ChEBI Ontology
Outgoing Relation(s)
Eutypellazine N (CHEBI:217687) has functional parent α-amino acid (CHEBI:33704)
Eutypellazine N (CHEBI:217687) is a organonitrogen compound (CHEBI:35352)
Eutypellazine N (CHEBI:217687) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3'R,7S,7aS)-3'-benzyl-7-hydroxy-3'-methylsulanylspiro[7,7a-dihydro-3H-1-benzothiophene-2,6'-piperazine]-2',5'-dione
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62429276ChemSpider