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CHEBI:210700 - Penicamedine A

ChEBI IDCHEBI:210700
ChEBI NamePenicamedine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O7
Net Charge0
Average Mass414.414
Monoisotopic Mass414.14270
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)N5C
InChIInChI=1S/C21H22N2O7/c1-9(24)19(27)16(26)23-17(2,3)11-8-10-6-5-7-12-13(10)18(15(25)22(12)4)14(11)20(23,28)21(19,29)30-18/h5-7,11,14,27-29H,8H2,1-4H3/t11-,14-,18+,19-,20+,21-/m1/s1
InChIKeyQLOOWQVCXQPADP-UMHNQWNOSA-N
Species of MetaboliteComponentSourceComments
Penicillium camemberti (ncbitaxon:5075) - PubMed (26460559)
ChEBI Ontology
Outgoing Relation(s)
Penicamedine A (CHEBI:210700) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4R,5S,9R)-5-acetyl-3,4,5-trihydroxy-8,8,16-trimethyl-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
34982091ChemSpider