Mrv1652309022204392D 26 29 0 0 1 0 999 V2000 -1.1995 -3.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -4.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -3.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 -3.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -2.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -2.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -3.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7273 -3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -2.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -3.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 -3.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -3.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 -4.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.8061 0.0000 C 0 0 1 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 6 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 10 12 1 0 0 0 0 7 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 16 15 1 1 0 0 0 16 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 20 22 1 0 0 0 0 22 23 2 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 5 1 1 0 0 0 16 26 1 0 0 0 0 M END > NP0147119 > NP-MRD > COC1=CC2=C(O[C@@H]3[C@H]2COC2=CC(O)=CC=C32)C(CC=C(C)C)=C1O > InChI=1S/C21H22O5/c1-11(2)4-6-14-19(23)18(24-3)9-15-16-10-25-17-8-12(22)5-7-13(17)20(16)26-21(14)15/h4-5,7-9,16,20,22-23H,6,10H2,1-3H3/t16-,20-/m0/s1 > JZCLWJAANXMNAY-JXFKEZNVSA-N > C21H22O5 > 354.402 > 354.146723808 > 5 > 48 > 38.23262718300617 > 1 > 2 > 0 > 1 > (1R,10R)-13-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 3.64 > 3.934225073999999 > -4.12 > 0 > 4 > 0 > 9.943779245874769 > 9.265914772158217 > -4.4073442998326255 > 68.15 > 99.2848 > 3 > 1 > 2.69e-02 g/l > (1R,10R)-13-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 0 > NP0147119 > (1r,10r)-13-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol $$$$