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CHEBI:224031 - Amphiepicoccin B

ChEBI IDCHEBI:224031
ChEBI NameAmphiepicoccin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O6S3
Net Charge0
Average Mass470.594
Monoisotopic Mass470.06400
SMILESCS[C@@]12C[C@@H]3[C@@H]([C@@H](O)C=C[C@@H]3O)N1C(=O)[C@@]13C[C@H]4C(=O)C[C@H](SS1)[C@H](O)[C@H]4N3C2=O
InChIInChI=1S/C19H22N2O6S3/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-30-19)15(25)14(8)21(19)16(18)26/h2-3,7-10,12-15,22-23,25H,4-6H2,1H3/t7-,8-,9-,10-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyWQGPXNGYKZQLOZ-YPQONYOZSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin B (CHEBI:224031) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin B (CHEBI:224031) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin B (CHEBI:224031) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,8S,9R,11R,14S,15R,16S,19R)-5,8,15-trihydroxy-11-methylsulanyl-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docos-6-ene-2,12,18-trione