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3-methylcholanthrene

Properties

Image

Occurences in reactions

MNX_ID

MNXM36636

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₁₆

charge

mass

268.1252

reference

InChIKey

PPQNQXQZIWHJRB-UHFFFAOYSA-N

InChI

InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

SMILES

Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34342 chebi:34342	3-methylcholanthrene 1,2-Dihydro-3-methylbenz(j)aceanthrylene 20-MC 20-Methylcholanthrene 3-MC 3-MCA 3-Methylcholanthrene 3-methyl-1,2-dihydrobenzo[j]aceanthrylene 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene MC MCA Methylcholanthrene
seed.compound:cpd10169 seedM:cpd10169 kegg.compound:C14470 keggC:C14470	3-Methylcholanthrene
keggC:M_C14470 seedM:M_cpd10169	secondary/obsolete/fantasy identifier