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CHEBI:722 - 11-O-Demethylpradimicinone II

ChEBI IDCHEBI:722
ChEBI Name11-O-Demethylpradimicinone II
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC27H21NO12
Net Charge0
Average Mass551.460
Monoisotopic Mass551.10638
SMILESCc1cc2c(c(O)c1C(=O)NC(C)C(=O)O)-c1c(O)c3c(c(O)c1[C@H](O)[C@H]2O)C(=O)c1c(O)cc(O)cc1C3=O
InChIInChI=1S/C27H21NO12/c1-6-3-9-14(21(33)12(6)26(38)28-7(2)27(39)40)15-16(25(37)20(9)32)24(36)18-17(23(15)35)19(31)10-4-8(29)5-11(30)13(10)22(18)34/h3-5,7,20,25,29-30,32-33,35-37H,1-2H3,(H,28,38)(H,39,40)/t7?,20-,25-/m0/s1
InChIKeyZYIREGFVRPWOMN-MAVRXOSISA-N
ChEBI Ontology
Outgoing Relation(s)
11-O-Demethylpradimicinone II (CHEBI:722) is a p-quinones (CHEBI:25830)
11-O-Demethylpradimicinone II (CHEBI:722) is a tetracenes (CHEBI:51270)
Synonyms  Source
11-O-Demethylpradimicinone IIKEGG COMPOUND
Benamicin CKEGG COMPOUND
Manual XrefsDatabases
C06778KEGG COMPOUND