CHEBI:199813 - Epicoccin J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epicoccin J
ChEBI ID CHEBI:199813
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24N2O6S2
Net Charge 0
Average Mass 452.540
Monoisotopic Mass 452.10758
InChI InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKey QOXQVMHGUNMPOZ-RIJSRGPQSA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC([C@@H]5C2)=O)C
Metabolite of Species Details
Epicoccum nigrum (NCBI:txid105696) See: PubMed
ChEBI Ontology
Outgoing Epicoccin J (CHEBI:199813) has functional parent α-amino acid (CHEBI:33704)
Epicoccin J (CHEBI:199813) is a organonitrogen compound (CHEBI:35352)
Epicoccin J (CHEBI:199813) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,9R,11R,14S,15S,19R)-5,15-dihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-6-ene-2,8,12,18-tetrone
Manual Xref Database
25032902 ChemSpider
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