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CHEBI:206763 - 2-demethylsperadine F

ChEBI IDCHEBI:206763
ChEBI Name2-demethylsperadine F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O7
Net Charge0
Average Mass400.387
Monoisotopic Mass400.12705
SMILESCC(=O)[C@@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@@]4(O[C@@]1(O)[C@@]2(O)[C@H]34)C(=O)N5
InChIInChI=1S/C20H20N2O7/c1-8(23)18(26)15(25)22-16(2,3)10-7-9-5-4-6-11-12(9)17(14(24)21-11)13(10)19(22,27)20(18,28)29-17/h4-6,10,13,26-28H,7H2,1-3H3,(H,21,24)/t10-,13-,17+,18-,19+,20-/m1/s1
InChIKeyXQCRMAWEEAMNOR-SMITWXTISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28117586)
ChEBI Ontology
Outgoing Relation(s)
2-demethylsperadine F (CHEBI:206763) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4R,5S,9R)-5-acetyl-3,4,5-trihydroxy-8,8-dimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione
Manual XrefsDatabases
76789110ChemSpider