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CHEBI:8353 - Pradimicinone II

ChEBI IDCHEBI:8353
ChEBI NamePradimicinone II
Stars
Last Modified6 June 2016
DownloadsMolfile
FormulaC28H23NO12
Net Charge0
Average Mass565.487
Monoisotopic Mass565.12203
SMILESCOc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)NC(C)C(=O)O)c(O)c1-3
InChIInChI=1S/C28H23NO12/c1-7-4-10-15(22(33)13(7)27(38)29-8(2)28(39)40)16-17(26(37)21(10)32)25(36)19-18(24(16)35)20(31)11-5-9(41-3)6-12(30)14(11)23(19)34/h4-6,8,21,26,30,32-33,35-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,26-/m0/s1
InChIKeySBIJXMUETDVEQB-CJERNAKNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pradimicinone II (CHEBI:8353) is a p-quinones (CHEBI:25830)
Pradimicinone II (CHEBI:8353) is a carboxylic acid (CHEBI:33575)
Pradimicinone II (CHEBI:8353) is a tetracenes (CHEBI:51270)
Synonym  Source
Pradimicinone IIKEGG COMPOUND
Manual XrefsDatabases
C06780KEGG COMPOUND
C00016804KNApSAcK