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CHEBI:227526 - Outovirin C

ChEBI IDCHEBI:227526
ChEBI NameOutovirin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O9S3
Net Charge0
Average Mass544.629
Monoisotopic Mass544.06439
SMILESCOc1ccc([C@H]2SSS[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/C21H24N2O9S3/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(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
InChIKeySFLUCAHJUSGTFH-BFBGDVCSSA-N
Species of MetaboliteComponentSourceComments
Penicillium raciborskii (ncbitaxon:70559) - PubMed (27057690)
ChEBI Ontology
Outgoing Relation(s)
Outovirin C (CHEBI:227526) is a methoxybenzenes (CHEBI:51683)
Outovirin C (CHEBI:227526) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,3S,4R,7R,8S,12S,13R)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.01,10.03,8]octadec-5-ene-11,17-dione
Manual XrefsDatabases
78438880ChemSpider