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CHEBI:203104 - Bequinostatin A

ChEBI IDCHEBI:203104
ChEBI NameBequinostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O9
Net Charge0
Average Mass504.491
Monoisotopic Mass504.14203
SMILESCCCCCc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1[C@@H](O)C2)C(=O)c1c(O)cc(O)cc1C3=O
InChIInChI=1S/C28H24O9/c1-2-3-4-5-11-6-12-7-17(30)21-14(19(12)25(33)20(11)28(36)37)10-16-23(26(21)34)27(35)22-15(24(16)32)8-13(29)9-18(22)31/h6,8-10,17,29-31,33-34H,2-5,7H2,1H3,(H,36,37)/t17-/m0/s1
InChIKeyRKXRXHADKSOULC-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8344872)
ChEBI Ontology
Outgoing Relation(s)
Bequinostatin A (CHEBI:203104) is a quinone (CHEBI:36141)
Bequinostatin A (CHEBI:203104) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,6,7,9,11-pentahydroxy-8,13-dioxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Manual XrefsDatabases
172046ChemSpider