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CHEBI:9861 - Uncinatone

ChEBI IDCHEBI:9861
ChEBI NameUncinatone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESCC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1)O[C@@H](C)C4
InChIInChI=1S/C20H22O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h8,10,22-23H,5-7H2,1-4H3/t10-,20-/m0/s1
InChIKeyIQGPVLVWUUPQMQ-FVINQWEUSA-N
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)
Uncinatone (CHEBI:9861) is a phenanthrenes (CHEBI:25961)
Synonym  Source
UncinatoneKEGG COMPOUND
Manual XrefsDatabases
C09976KEGG COMPOUND
C00003021KNApSAcK
Registry NumbersSources
CAS:99624-92-7KEGG COMPOUND