Mrv1652304272019102D 23 28 0 0 0 0 999 V2000 -3.8068 -0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 3.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3081 3.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0531 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0531 2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6052 2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 14 2 0 0 0 0 7 15 2 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 21 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 M END > CDB005929 > CDB > CC1=C2C3=CC=CC=C3C3=CC=C4C5=CC=CC=C5C(=C1)C4=C23 > InChI=1S/C23H14/c1-13-12-20-15-7-3-2-6-14(15)18-10-11-19-16-8-4-5-9-17(16)21(13)23(19)22(18)20/h2-12H,1H3 > IQRRYJCHWNWWSY-UHFFFAOYSA-N > C23H14 > 290.365 > 290.109550451 > 0 > 37 > 34.84098864251203 > 0 > 0 > 0 > 0 > 9-methylhexacyclo[9.9.2.0^{2,7}.0^{8,21}.0^{12,17}.0^{18,22}]docosa-1(20),2,4,6,8,10,12,14,16,18,21-undecaene > 6.30 > 6.118553777999999 > -7.15 > 0 > 6 > 0 > 0.0 > 95.97819999999996 > 0 > 0 > 2.04e-05 g/l > 9-methylhexacyclo[9.9.2.0^{2,7}.0^{8,21}.0^{12,17}.0^{18,22}]docosa-1(20),2,4,6,8,10,12,14,16,18,21-undecaene > 1 > CDB005929 > methyl indeno[1,2,3,-c d] fluoranthene $$$$