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CHEBI:205436 - Cyclopiamide J

ChEBI IDCHEBI:205436
ChEBI NameCyclopiamide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O7
Net Charge0
Average Mass428.441
Monoisotopic Mass428.15835
SMILESCC(=O)C[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)N5C
InChIInChI=1S/C22H24N2O7/c1-10(25)9-19(28)16(26)24-18(2,3)12-8-11-6-5-7-13-14(11)20(17(27)23(13)4)15(12)21(24,29)22(19,30)31-20/h5-7,12,15,28-30H,8-9H2,1-4H3/t12-,15-,19-,20+,21+,22-/m1/s1
InChIKeySECNHDOFHUTKGZ-UEYCCITJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2014.12.031)
ChEBI Ontology
Outgoing Relation(s)
Cyclopiamide J (CHEBI:205436) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4R,5S,9R)-3,4,5-trihydroxy-8,8,16-trimethyl-5-(2-oxopropyl)-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
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35516792ChemSpider