Mrv1652309052205402D 25 27 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 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 5.1045 -1.1421 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 12 14 1 0 0 0 0 14 15 2 0 0 0 0 9 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 3 25 1 0 0 0 0 M END > NP0207165 > NP-MRD > COC1=CC=C2CC\C(OC)=C\C(=O)CCC3=CC=C(O)C(=C3)C1=C2 > InChI=1S/C21H22O4/c1-24-17-8-4-15-6-10-21(25-2)19(12-15)18-11-14(5-9-20(18)23)3-7-16(22)13-17/h5-6,9-13,23H,3-4,7-8H2,1-2H3/b17-13- > FOOHEWLBIPASOP-LGMDPLHJSA-N > C21H22O4 > 338.403 > 338.151809188 > 4 > 47 > 36.08225075696511 > 1 > 1 > 0 > 1 > (10Z)-3-hydroxy-11,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one > 4.049873586333333 > 0 > 3 > 0 > 18.220633787993833 > 8.993028161927924 > -4.483122822458727 > 55.760000000000005 > 99.45570000000001 > 2 > 1 > (10Z)-3-hydroxy-11,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one > 0 > NP0207165 > (10z)-3-hydroxy-11,17-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one $$$$