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CHEBI:82593 - trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene

ChEBI IDCHEBI:82593
ChEBI Nametrans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
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DownloadsMolfile
FormulaC20H18O2
Net Charge0
Average Mass290.362
Monoisotopic Mass290.13068
SMILESCc1c2c(c(C)c3ccccc13)[C@H](O)[C@@H](O)c1ccccc1-2
InChIInChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1
InChIKeySGVWCDYKBWRHKJ-PMACEKPBSA-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)
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene (CHEBI:82593) is a phenanthrenes (CHEBI:25961)
Synonym  Source
trans-DMBA-5,6-dihydrodiolKEGG COMPOUND
Manual XrefsDatabases
C19607KEGG COMPOUND
HMDB0060519HMDB
Registry NumbersSources
CAS:16644-15-8KEGG COMPOUND