EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:723 - 11-O-Demethylpradinone I

ChEBI IDCHEBI:723
ChEBI Name11-O-Demethylpradinone I
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC24H16O10
Net Charge0
Average Mass464.382
Monoisotopic Mass464.07435
SMILESCc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@H](O)[C@H]2O
InChIInChI=1S/C24H16O10/c1-6-2-8-15(22(31)13(6)24(33)34)16-10(21(30)20(8)29)5-11-17(23(16)32)19(28)9-3-7(25)4-12(26)14(9)18(11)27/h2-5,20-21,25-26,29-32H,1H3,(H,33,34)/t20-,21-/m0/s1
InChIKeyROFMCMXCPNFONV-SFTDATJTSA-N
ChEBI Ontology
Outgoing Relation(s)
11-O-Demethylpradinone I (CHEBI:723) is a p-quinones (CHEBI:25830)
11-O-Demethylpradinone I (CHEBI:723) is a tetracenes (CHEBI:51270)
Synonym  Source
11-O-Demethylpradinone IKEGG COMPOUND
Manual XrefsDatabases
C06775KEGG COMPOUND
C00017043KNApSAcK