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1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene

PropertiesImage
MNX_IDMNXM9729 Image of MNXM9729
referencechebi:82517
formulaC20H16O
global charge0
mol weight272.347
InChIKeyUZKWBBZEYBCHIN-UHFFFAOYSA-N
InChIInChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3
SMILESCC1=C2C=CC3=C(C=CC4OC34)C2=C(C)C2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3/t18?,20? Image of MNXM9729
SMILES (mnx)[CH3:1][C:11]1=[C:15]2[CH:7]=[CH:8][C:17]3=[C:16]([CH:9]=[CH:10][CH:18]4[CH:20]3[O:21]4)[C:19]2=[C:12]([CH3:2])[C:14]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd20745
seedM:cpd20745
CHEBI:82517
chebi:82517
kegg.compound:C19489
keggC:C19489
UZKWBBZEYBCHIN-UHFFFAOYSA-N 		1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene

vmhM:M00435
vmhmetabolite:M00435
UZKWBBZEYBCHIN-UHFFFAOYSA-N 		1A,11B-Dihydro-4,9-Dimethylbenz[A]Anthra[3,4-B]Oxirene
12,19-dimethyl-6-oxapentacyclo[9.8.0.0²,⁸.0⁵,⁷.0¹³,¹⁸]nonadeca-1(19),2(8),3,9,11,13,15,17-octaene
hmdb:HMDB0060341
UZKWBBZEYBCHIN-UHFFFAOYSA-N 		1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
12,19-dimethyl-6-oxapentacyclo[9.8.0.0²,⁸.0⁵,⁷.0¹³,¹⁸]nonadeca-1(19),2(8),3,9,11,13,15,17-octaene

vmhM:CN0021
vmhmetabolite:CN0021
UZKWBBZEYBCHIN-UHFFFAOYSA-N 		7,12-Dimethylbenz[A]Anthracene-3,4-Oxide

bigg.metabolite:CN0021
biggM:CN0021
UZKWBBZEYBCHIN-UHFFFAOYSA-N 		7,12-Dimethylbenz[a]anthracene-3,4-oxide

hmdb:HMDB60341
biggM:M_CN0021
keggC:M_C19489
seedM:M_cpd20745
vmhM:M_CN0021
vmhM:M_M00435 		secondary/obsolete/fantasy identifier