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CHEBI:226172 - Murayaquinone E

ChEBI IDCHEBI:226172
ChEBI NameMurayaquinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCCCC(=O)c1c(CC(=O)OC)cc2c(c1O)-c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C21H18O7/c1-3-5-13(22)16-10(9-15(24)28-2)8-12-17(20(16)26)11-6-4-7-14(23)18(11)21(27)19(12)25/h4,6-8,23,26H,3,5,9H2,1-2H3
InChIKeyFJBMAWNRKPOGBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2019.05.048)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Murayaquinone E (CHEBI:226172) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
methyl 2-(3-butanoyl-4,8-dihydroxy-9,10-dioxophenanthren-2-yl)acetate