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CHEBI:224020 - Amphiepicoccin J

ChEBI IDCHEBI:224020
ChEBI NameAmphiepicoccin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O6S2
Net Charge0
Average Mass440.543
Monoisotopic Mass440.10758
SMILESCS[C@@]12C[C@@H]3[C@@H]([C@@H](O)CC[C@@H]3O)N1C(=O)[C@]13C[C@@]4(O)[C@H](C=C[C@H](O)[C@H]4N1C2=O)S3
InChIInChI=1S/C19H24N2O6S2/c1-28-18-6-8-9(22)2-3-10(23)13(8)20(18)16(26)19-7-17(27)12(29-19)5-4-11(24)14(17)21(19)15(18)25/h4-5,8-14,22-24,27H,2-3,6-7H2,1H3/t8-,9-,10-,11-,12-,13-,14+,17+,18+,19+/m0/s1
InChIKeyPPUMQDDOZDHSEE-WRKDXMTMSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin J (CHEBI:224020) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin J (CHEBI:224020) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin J (CHEBI:224020) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,8S,9R,11R,14R,15S,18S,19S)-5,8,15,19-tetrahydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[16.2.1.01,13.03,11.04,9.014,19]henicos-16-ene-2,12-dione
Manual XrefsDatabases
81386414ChemSpider