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CHEBI:82518 - trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene

ChEBI IDCHEBI:82518
ChEBI Nametrans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene
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DownloadsMolfile
FormulaC20H18O2
Net Charge0
Average Mass290.362
Monoisotopic Mass290.13068
SMILESCc1c2ccccc2c(C)c2c3c(ccc12)[C@H](O)[C@@H](O)C=C3
InChIInChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1
InChIKeyYZIIKMBFHLJAFT-ICSRJNTNSA-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-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene (CHEBI:82518) is a phenanthrol (CHEBI:25962)
Synonym  Source
trans-DMBA-3,4-dihydrodiolKEGG COMPOUND
Manual XrefsDatabases
C19490KEGG COMPOUND
HMDB0060517HMDB
Registry NumbersSources
CAS:68162-13-0KEGG COMPOUND