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

MNXM162910 is deprecated and replaced by MNXM13085

Properties

Image

Occurences in reactions

MNX_ID

MNXM13085

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	5

formula

C₂₀H₁₈O₂

charge

mass

290.13068

reference

InChIKey

YZIIKMBFHLJAFT-ICSRJNTNSA-N

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

SMILES

Cc1c2ccccc2c(C)c2c3c(ccc12)[C@H](O)[C@@H](O)C=C3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd20746 seedM:cpd20746 CHEBI:82518 chebi:82518 kegg.compound:C19490 keggC:C19490	trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene trans-DMBA-3,4-dihydrodiol
bigg.metabolite:CN0022 biggM:CN0022	7,12-Dimethylbenz[a]anthracene-3,4-diol
hmdb:HMDB0060517	trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene (3S,4S)-7,12-dimethyl-3,4-dihydrotetraphene-3,4-diol trans-DMBA-3,4-dihydrodiol
hmdb:HMDB60517 biggM:M_CN0022 keggC:M_C19490 seedM:M_cpd20746	secondary/obsolete/fantasy identifier