CHEBI:217693 - Eutypellazine O

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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 O
ChEBI ID CHEBI:217693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O4S2
Net Charge 0
Average Mass 404.500
Monoisotopic Mass 404.08645
InChI InChI=1S/C19H20N2O4S2/c1-26-18(9-11-5-2-3-7-13(11)22)16(24)21-19(17(25)20-18)10-12-6-4-8-14(23)15(12)27-19/h2-8,14-15,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+,19+/m0/s1
InChIKey ASCPOWAIANPXPH-ILRDRHFLSA-N
SMILES S1[C@]2(NC(=O)[C@](SC)(CC3=C(O)C=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 O (CHEBI:217693) has functional parent α-amino acid (CHEBI:33704)
Eutypellazine O (CHEBI:217693) is a organonitrogen compound (CHEBI:35352)
Eutypellazine O (CHEBI:217693) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2R,3'R,7S,7aS)-7-hydroxy-3'-[(2-hydroxyphenyl)methyl]-3'-methylsulanylspiro[7,7a-dihydro-3H-1-benzothiophene-2,6'-piperazine]-2',5'-dione
Manual Xref Database
62429277 ChemSpider
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