(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (CHEBI:82558)

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ChEBI Name	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

ChEBI ID	CHEBI:82558

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

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Formula

C20H18O3

Net Charge

Average Mass

306.35510

Monoisotopic Mass

306.12559

InChI

InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1

InChIKey

SZIWZGXOWBSPTO-ZGXWSNOMSA-N

SMILES

Cc1c2ccccc2c(C)c2c3[C@@H]4O[C@@H]4[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	(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol (CHEBI:82558) is a phenanthrol (CHEBI:25962)

Registry Number	Type	Source
86941-58-4	CAS Registry Number	KEGG COMPOUND