CHEBI:215074 - Epicoccin H

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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 H
ChEBI ID CHEBI:215074
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N2O8S2
Net Charge 0
Average Mass 486.550
Monoisotopic Mass 486.11306
InChI InChI=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
InChIKey KIFUAYSXLVXNEJ-ZHJPTRFQSA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C
Metabolite of Species Details
Epicoccum nigrum (NCBI:txid105696) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
24659255 ChemSpider
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