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CHEBI:32200 - tetracenomycin B3

ChEBI IDCHEBI:32200
ChEBI Nametetracenomycin B3
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H14O8
Net Charge0
Average Mass394.335
Monoisotopic Mass394.06887
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3cc(O)c(C(=O)O)c(C)c3c(O)c1C2=O
InChIInChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)
InChIKeyNSKLWYCTXNPUBB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
tetracenomycin B3 (CHEBI:32200) is a tetracenequinones (CHEBI:51286)
tetracenomycin B3 (CHEBI:32200) is a tetracenomycin (CHEBI:48132)
IUPAC Name 
3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid
Synonyms  Source
Tetracenomycin B3KEGG COMPOUND
Tetracenomycin B(3)ChemIDplus
Manual XrefsDatabases
C12369KEGG COMPOUND
C00017936KNApSAcK
Registry NumbersSources
Beilstein:6827928Beilstein
CAS:117241-62-0ChemIDplus