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CHEBI:212338 - Anthracyclinone blue B

ChEBI IDCHEBI:212338
ChEBI NameAnthracyclinone blue B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H21NO8
Net Charge0
Average Mass451.431
Monoisotopic Mass451.12672
SMILESCCc1cc(NCCO)c2c(O)c3c(c(O)c2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C24H21NO8/c1-3-10-9-12(25-7-8-26)16-17(14(10)24(32)33-2)23(31)18-19(22(16)30)21(29)15-11(20(18)28)5-4-6-13(15)27/h4-6,9,25-27,30-31H,3,7-8H2,1-2H3
InChIKeyQZOYVKFIBGXGPC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/jobm.3620310514)
ChEBI Ontology
Outgoing Relation(s)
Anthracyclinone blue B (CHEBI:212338) is a quinone (CHEBI:36141)
Anthracyclinone blue B (CHEBI:212338) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl 2-ethyl-5,7,12-trihydroxy-4-(2-hydroxyethylamino)-6,11-dioxotetracene-1-carboxylate
Manual XrefsDatabases
17624913ChemSpider