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

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ChEBI Name 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
ChEBI ID CHEBI:82560
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H16O4S
Net Charge 0
Average Mass 352.40400
Monoisotopic Mass 352.07693
InChI InChI=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)
InChIKey WYUDBEMLROEPHR-UHFFFAOYSA-N
SMILES Cc1c2ccccc2c(COS(O)(=O)=O)c2ccc3ccccc3c12
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate (CHEBI:82560) is a phenanthrenes (CHEBI:25961)
Manual Xrefs Databases
C19562 KEGG COMPOUND
HMDB0060420 HMDB
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Registry Number Type Source
80733-96-6 CAS Registry Number KEGG COMPOUND