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CHEBI:204639 - Dithioaspergillazine A

ChEBI IDCHEBI:204639
ChEBI NameDithioaspergillazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O8S2
Net Charge0
Average Mass480.520
Monoisotopic Mass480.06611
SMILESCOc1ccc2cc(NC(=O)[C@@]34C[C@]5(O)[C@@H](C=C[C@@H](O)[C@@H]5ON3)SS4)c(=O)oc2c1OC
InChIInChI=1S/C20H20N2O8S2/c1-27-12-5-3-9-7-10(17(24)29-14(9)15(12)28-2)21-18(25)20-8-19(26)13(31-32-20)6-4-11(23)16(19)30-22-20/h3-7,11,13,16,22-23,26H,8H2,1-2H3,(H,21,25)/t11-,13-,16+,19+,20+/m1/s1
InChIKeyVNLOGLPDJJSAJI-JKRAONCPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.tetlet.2016.11.028)
ChEBI Ontology
Outgoing Relation(s)
Dithioaspergillazine A (CHEBI:204639) is a coumarins (CHEBI:23403)
IUPAC Name 
(1S,4R,7R,8S,9R)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-7,9-dihydroxy-12-oxa-2,3-dithia-11-azatricyclo[6.2.2.04,9]dodec-5-ene-1-carboxamide
Manual XrefsDatabases
78437171ChemSpider