CHEBI:217687 - Eutypellazine N

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eutypellazine N
ChEBI ID CHEBI:217687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H20N2O3S2
Net Charge 0
Average Mass 388.500
Monoisotopic Mass 388.09153
InChI InChI=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
InChIKey GPTODGSXTKNMCC-ILRDRHFLSA-N
SMILES S1[C@]2(NC(=O)[C@](SC)(CC3=CC=CC=C3)NC2=O)CC=4[C@H]1[C@@H](O)C=CC4
Metabolite of Species Details
Eutypellaspecies (NCBI:txid1715228) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
62429276 ChemSpider
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