Mrv1652309042205072D 26 28 0 0 0 0 999 V2000 5.3299 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 1.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 3.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8953 3.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 1.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6666 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5736 -1.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1136 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 -0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 -1.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 -1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 2.5818 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 9 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 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 19 25 1 0 0 0 0 25 26 1 0 0 0 0 3 26 1 0 0 0 0 M END > NP0187080 > NP-MRD > COC1=CC=C2CCC(=O)\C=C(\CCC3=CC=C(OC)C(=C3)C1=C2)OC > InChI=1S/C22H24O4/c1-24-18-9-5-16-7-11-22(26-3)20(13-16)19-12-15(4-8-17(23)14-18)6-10-21(19)25-2/h6-7,10-14H,4-5,8-9H2,1-3H3/b18-14- > QJBVTYDBFPKXMZ-JXAWBTAJSA-N > C22H24O4 > 352.43 > 352.167459253 > 4 > 50 > 38.42121537881147 > 1 > 0 > 0 > 1 > (10Z)-3,11,17-trimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one > 4.195767642333333 > 0 > 3 > 0 > 18.199897180379416 > -4.327777648798381 > 44.760000000000005 > 103.93799999999999 > 3 > 1 > (10Z)-3,11,17-trimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one > 0 > NP0187080 > (10z)-3,11,17-trimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one $$$$