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CHEBI:8352 - Pradimicinone I

ChEBI IDCHEBI:8352
ChEBI NamePradimicinone I
Stars
Last Modified6 June 2016
DownloadsMolfile
FormulaC28H23NO11
Net Charge0
Average Mass549.488
Monoisotopic Mass549.12711
SMILESCOc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)[C@H](O)[C@H]3O)C2=O
InChIInChI=1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9?,23-,24-/m0/s1
InChIKeyMXDWXJYFRRURMW-BCGWSGGWSA-N
ChEBI Ontology
Outgoing Relation(s)
Pradimicinone I (CHEBI:8352) is a p-quinones (CHEBI:25830)
Pradimicinone I (CHEBI:8352) is a tetracenes (CHEBI:51270)
Synonym  Source
Pradimicinone IKEGG COMPOUND
Manual XrefsDatabases
C06777KEGG COMPOUND
C00016803KNApSAcK