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CHEBI:75291 - ε-rhodomycinone

Default Structure
ChEBI IDCHEBI:75291
ChEBI Nameε-rhodomycinone
Stars
ASCII Nameepsilon-rhodomycinone
DefinitionA carboxylic ester that is the methyl ester of (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
Secondary ChEBI IDCHEBI:32344
Last Modified16 March 2015
SubmitterKAX
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1
InChIKeyPYFOXRACBORDCT-GOSXWKPOSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
ε-rhodomycinone (CHEBI:75291) is a carbopolycyclic compound (CHEBI:35294)
ε-rhodomycinone (CHEBI:75291) is a methyl ester (CHEBI:25248)
ε-rhodomycinone (CHEBI:75291) is a polyphenol (CHEBI:26195)
ε-rhodomycinone (CHEBI:75291) is a tetracenequinones (CHEBI:51286)
ε-rhodomycinone (CHEBI:75291) is a tetracenomycin (CHEBI:48132)
IUPAC Name 
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonyms  Source
epsilon-RhodomycinoneKEGG COMPOUND
E-RhodomycinoneChemIDplus
NSC 196524ChemIDplus
RhodomycinoneChemIDplus
UniProt Name  Source
ε-rhodomycinoneUniProt
Manual XrefsDatabases
C12425KEGG COMPOUND
CPD-13972MetaCyc
Registry NumbersSources
Reaxys:2194693Reaxys
CAS:21288-60-8ChemIDplus
CAS:21288-60-8KEGG COMPOUND
Citations