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CHEBI:82560 - 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate

ChEBI IDCHEBI:82560
ChEBI Name7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Stars
DownloadsMolfile
FormulaC20H16O4S
Net Charge0
Average Mass352.411
Monoisotopic Mass352.07693
SMILESCc1c2ccccc2c(COS(=O)(=O)O)c2ccc3ccccc3c12
InChIInChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyWYUDBEMLROEPHR-UHFFFAOYSA-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)
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate (CHEBI:82560) is a phenanthrenes (CHEBI:25961)
Manual XrefsDatabases
C19562KEGG COMPOUND
HMDB0060420HMDB
Registry NumbersSources
CAS:80733-96-6KEGG COMPOUND