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CHEBI:217693 - Eutypellazine O

ChEBI IDCHEBI:217693
ChEBI NameEutypellazine O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O4S2
Net Charge0
Average Mass404.513
Monoisotopic Mass404.08645
SMILESCS[C@@]1(Cc2ccccc2O)NC(=O)[C@]2(CC3=CC=C[C@H](O)[C@H]3S2)NC1=O
InChIInChI=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
InChIKeyASCPOWAIANPXPH-ILRDRHFLSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies (ncbitaxon:1715228) - DOI (10.1016/j.tetlet.2017.08.015)
ChEBI Ontology
Outgoing Relation(s)
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
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