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CHEBI:721 - 11-O-Demethylpradimicinone I

ChEBI IDCHEBI:721
ChEBI Name11-O-Demethylpradimicinone I
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC27H21NO11
Net Charge0
Average Mass535.461
Monoisotopic Mass535.11146
SMILESCc1cc2c(c(O)c1C(=O)NC(C)C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@H](O)[C@H]2O
InChIInChI=1S/C27H21NO11/c1-7-3-10-17(24(35)15(7)26(37)28-8(2)27(38)39)18-12(23(34)22(10)33)6-13-19(25(18)36)21(32)11-4-9(29)5-14(30)16(11)20(13)31/h3-6,8,22-23,29-30,33-36H,1-2H3,(H,28,37)(H,38,39)/t8?,22-,23-/m0/s1
InChIKeyIJJFUQHXTUKIGS-KADLPKKJSA-N
ChEBI Ontology
Outgoing Relation(s)
11-O-Demethylpradimicinone I (CHEBI:721) is a p-quinones (CHEBI:25830)
11-O-Demethylpradimicinone I (CHEBI:721) is a tetracenes (CHEBI:51270)
Synonym  Source
11-O-Demethylpradimicinone IKEGG COMPOUND
Manual XrefsDatabases
C06776KEGG COMPOUND