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CHEBI:215074 - Epicoccin H

ChEBI IDCHEBI:215074
ChEBI NameEpicoccin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O8S2
Net Charge0
Average Mass486.568
Monoisotopic Mass486.11306
SMILESCS[C@@]12C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H26N2O8S2/c1-31-19-5-7-9(23)3-11(25)15(27)13(7)21(19)18(30)20(32-2)6-8-10(24)4-12(26)16(28)14(8)22(20)17(19)29/h7-8,11-16,25-28H,3-6H2,1-2H3/t7-,8-,11-,12-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyKIFUAYSXLVXNEJ-ZHJPTRFQSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (19919067)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin H (CHEBI:215074) has functional parent α-amino acid (CHEBI:33704)
Epicoccin H (CHEBI:215074) is a organonitrogen compound (CHEBI:35352)
Epicoccin H (CHEBI:215074) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15,16-tetrahydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone
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24659255ChemSpider