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CHEBI:209854 - 5'-hydroxy-6'-ene-epicoccin G

ChEBI IDCHEBI:209854
ChEBI Name5'-hydroxy-6'-ene-epicoccin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O6S2
Net Charge0
Average Mass454.570
Monoisotopic Mass454.12323
SMILESCS[C@@]12C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3[C@@H]([C@@H](O)C=C[C@@H]3O)N1C2=O
InChIInChI=1S/C20H26N2O6S2/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/h3,5,9-11,13-16,23,25-26H,4,6-8H2,1-2H3/t9-,10+,11+,13+,14+,15+,16+,19-,20-/m1/s1
InChIKeyQOHCECCKIAVOOH-WJQJLFQASA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (32183021)
ChEBI Ontology
Outgoing Relation(s)
5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) has functional parent α-amino acid (CHEBI:33704)
5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) is a organonitrogen compound (CHEBI:35352)
5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,9R,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-16-ene-2,8,12-trione
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