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CHEBI:217706 - Eutypellazine Q

ChEBI IDCHEBI:217706
ChEBI NameEutypellazine Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O5S3
Net Charge0
Average Mass452.579
Monoisotopic Mass452.05343
SMILESCS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@]13C[C@H]4C(=O)C[C@@H](SS1)[C@H](O)[C@H]4N3C2=O
InChIInChI=1S/C19H20N2O5S3/c1-27-18-6-8-3-2-4-10(22)13(8)20(18)17(26)19-7-9-11(23)5-12(28-29-19)15(24)14(9)21(19)16(18)25/h2-4,9-10,12-15,22,24H,5-7H2,1H3/t9-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKeyRTWDWWJIQROCSO-XRRZBRONSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies (ncbitaxon:1715228) - DOI (10.1016/j.tetlet.2017.08.015)
ChEBI Ontology
Outgoing Relation(s)
Eutypellazine Q (CHEBI:217706) has functional parent α-amino acid (CHEBI:33704)
Eutypellazine Q (CHEBI:217706) is a organonitrogen compound (CHEBI:35352)
Eutypellazine Q (CHEBI:217706) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,11R,14S,15R,16R,19R)-5,15-dihydroxy-11-methylsulanyl-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docosa-6,8-diene-2,12,18-trione
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62429279ChemSpider