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

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ChEBI Name	trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene

ChEBI ID	CHEBI:82518

Stars	This entity has been manually annotated by a third party.

Supplier Information

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Formula

C20H18O2

Net Charge

Average Mass

290.35570

Monoisotopic Mass

290.13068

InChI

InChI=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

InChIKey

YZIIKMBFHLJAFT-ICSRJNTNSA-N

SMILES

Cc1c2ccccc2c(C)c2c3C=C[C@H](O)[C@@H](O)c3ccc12

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 )

ChEBI Ontology
Outgoing	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-dihydrodiol	KEGG COMPOUND

Registry Number	Type	Source
68162-13-0	CAS Registry Number	KEGG COMPOUND