Mrv1652309032221282D 28 32 0 0 0 0 999 V2000 5.4252 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 2.3638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 2.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3084 0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7499 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 1.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -0.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 -1.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8621 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5266 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 8 28 1 0 0 0 0 M END > NP0181020 > NP-MRD > CN(C)CCC1=CC2=C(OCO2)C=C1\C=C1/OC(=O)C2=C1C=CC1=C2OCO1 > InChI=1S/C21H19NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-13(12)8-16-14-3-4-15-20(27-11-24-15)19(14)21(23)28-16/h3-4,7-9H,5-6,10-11H2,1-2H3/b16-8- > XTKRQNDALPUYMD-PXNMLYILSA-N > C21H19NO6 > 381.384 > 381.121237336 > 6 > 47 > 40.37702511601598 > 1 > 0 > 0 > 1 > (10Z)-10-({6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),7-trien-12-one > 2.8278197779999994 > 0 > 5 > 1 > 9.04019638109793 > 66.46000000000001 > 102.00060000000002 > 4 > 1 > (10Z)-10-({6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),7-trien-12-one > 0 > NP0181020 > (10z)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one $$$$