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CHEBI:227522 - Outovirin A

ChEBI IDCHEBI:227522
ChEBI NameOutovirin A
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SubmitterMetaboLights
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FormulaC21H24N2O9S
Net Charge0
Average Mass480.495
Monoisotopic Mass480.12025
SMILESCOc1ccc([C@H]2S[C@@]34C[C@]5(O)[C@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(C)C4=O)c(O)c1OC
InChIInChI=1S/C21H24N2O9S/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3/t10-,12-,13-,16-,17+,20+,21-/m1/s1
InChIKeyLGGBWKYVFUKVSL-BFBGDVCSSA-N
Species of MetaboliteComponentSourceComments
Penicillium raciborskii (ncbitaxon:70559) - PubMed (27057690)
ChEBI Ontology
Outgoing Relation(s)
Outovirin A (CHEBI:227522) is a organonitrogen heterocyclic compound (CHEBI:38101)
Outovirin A (CHEBI:227522) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(1R,3S,4R,7R,8S,12S,16R)-3,4,7-trihydroxy-16-(2-hydroxy-3,4-dimethoxyphenyl)-13-methyl-9-oxa-15-thia-10,13-diazatetracyclo[10.2.2.01,10.03,8]hexadec-5-ene-11,14-dione
Manual XrefsDatabases
78438879ChemSpider