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CHEBI:224016 - Amphiepicoccin I

ChEBI IDCHEBI:224016
ChEBI NameAmphiepicoccin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O6S3
Net Charge0
Average Mass454.551
Monoisotopic Mass454.03270
SMILESO=C1C[C@@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@]12C[C@@]3(O)[C@H](C=C[C@H](O)[C@H]3N1C4=O)S2
InChIInChI=1S/C18H18N2O6S3/c21-7-1-2-10-16(26)5-18(27-10)15(25)19-11-6-4-17(19,14(24)20(18)13(7)16)29-28-9(12(11)23)3-8(6)22/h1-2,6-7,9-13,21,23,26H,3-5H2/t6-,7-,9-,10-,11-,12-,13+,16+,17+,18+/m0/s1
InChIKeyDKJPJQHHTXIOAG-XVQGPDSUSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin I (CHEBI:224016) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin I (CHEBI:224016) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin I (CHEBI:224016) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4R,5S,8S,9S,11R,14S,15R,16S,19R)-5,9,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.18,11.01,13.03,11.04,9.014,19]tricos-6-ene-2,12,18-trione