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trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene

PropertiesImage
MNX_IDMNXM22124 Image of MNXM22124
referencechebi:82593
formulaC20H18O2
global charge0
mol weight290.362
InChIKeySGVWCDYKBWRHKJ-PMACEKPBSA-N
InChIInChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1
SMILESCC1=C2C3=C(C=CC=C3)[C@H](O)[C@@H](O)C2=C(C)C2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1 Image of MNXM22124
SMILES (mnx)[CH3:1][C:11]1=[C:17]2[C:15]3=[CH:9][CH:5]=[CH:6][CH:10]=[C:16]3[C@H:19]([OH:21])[C@@H:20]([OH:22])[C:18]2=[C:12]([CH3:2])[C:14]2=[CH:8][CH:4]=[CH:3][CH:7]=[C:13]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd20860
seedM:cpd20860
CHEBI:82593
chebi:82593
kegg.compound:C19607
keggC:C19607
SGVWCDYKBWRHKJ-PMACEKPBSA-N
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
trans-DMBA-5,6-dihydrodiol

vmhM:M03038
vmhmetabolite:M03038
SGVWCDYKBWRHKJ-PMACEKPBSA-N
Trans-5,6-Dihydro-5,6-Dihydroxy-7,12-Dimethylbenz[A]Anthracene
(5S,6S)-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
hmdb:HMDB0060519
SGVWCDYKBWRHKJ-PMACEKPBSA-N
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene
(5S,6S)-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
trans-DMBA-5,6-dihydrodiol

hmdb:HMDB60519
keggC:M_C19607
seedM:M_cpd20860
vmhM:M_M03038
secondary/obsolete/fantasy identifier