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CHEBI:224041 - Amphiepicoccin D

ChEBI IDCHEBI:224041
ChEBI NameAmphiepicoccin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O6S2
Net Charge0
Average Mass438.527
Monoisotopic Mass438.09193
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](S1)[C@H](O)[C@H]4N3C2=O
InChIInChI=1S/C19H22N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-19)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
InChIKeyZJXSHCYZSKVRMB-YPQONYOZSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin D (CHEBI:224041) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin D (CHEBI:224041) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin D (CHEBI:224041) 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-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicos-6-ene-2,12,18-trione