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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:
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)
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