CHEBI:203829 - Epicoccin O

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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 O
ChEBI ID CHEBI:203829
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C19H22N2O6S2
Net Charge 0
Average Mass 438.510
Monoisotopic Mass 438.09193
InChI InChI=1S/C19H22N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-14(21(19)16(18)26)11(24)4-12(29-19)15(8)25/h7-8,10-14,23-24H,2-6H2,1H3/t7-,8+,10-,11-,12-,13-,14-,18+,19+/m0/s1
InChIKey MIGDXSIYPPSPQT-VSVMUBLBSA-N
SMILES S1[C@@]23N(C(=O)[C@]4(SC)C[C@@H]5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O
Metabolite of Species Details
Epicoccum nigrum (NCBI:txid105696) See: PubMed
ChEBI Ontology
Outgoing Epicoccin O (CHEBI:203829) has functional parent α-amino acid (CHEBI:33704)
Epicoccin O (CHEBI:203829) is a organonitrogen compound (CHEBI:35352)
Epicoccin O (CHEBI:203829) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,9R,11R,14S,15S,17S,19R)-5,15-dihydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[15.3.1.01,13.03,11.04,9.014,19]henicosane-2,8,12,18-tetrone