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0 0 0 0 0 0 0 0 0 0 0 2.6564 1.9565 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 0.8731 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 2.9910 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 0.8100 -1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 2.9336 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 1.8221 -2.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 1.1590 -4.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 1.2351 -6.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -2.9757 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 -1.9703 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -3.7577 2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -0.4658 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 -2.1226 2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -2.7157 4.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -3.5294 4.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -3.8001 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5659 -2.0104 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 -5.3255 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 -0.0453 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1959 1.8811 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 3.9893 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 1.1941 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 2.9055 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -1.8828 5.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 0.1067 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 3.8051 -0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4505 0.0173 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 3.6924 -2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 1.6656 -4.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 0.1063 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 0.7471 -6.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 2.2752 -6.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 0.7311 -6.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 8 3 1 0 0 0 0 3 36 1 0 0 0 0 9 4 1 0 0 0 0 4 37 1 0 0 0 0 10 5 1 0 0 0 0 5 38 1 0 0 0 0 6 14 1 0 0 0 0 6 44 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 11 13 6 12 14 6 13 15 8 13 16 8 15 17 8 16 18 8 17 20 8 18 20 8 21 22 8 21 23 8 22 24 8 23 25 8 24 26 8 25 26 8 8 3 6 9 4 5 10 5 5 > InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1 > JVHXJTBJCFBINQ-ADAARDCZSA-N > 1/0/N:28,27,22,23,16,24,25,18,19,15,14,21,13,17,26,20,12,10,8,9,11,1,6,5,3,4,7,2/E:(3,4)(6,7)/it:im/rA:53cClOOOOOOCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3;s4s8;s5s8;s2s9;s2s10;s11;s6s12;d13;s13;s15;d16;s17;s1d17s18;s19;d21;s21;s22;d23;s7d24s25;s7;s27;s8;s9;s10;s11;s12;s14;s14;s3;s4;s5;s15;s16;s18;s19;s19;s6;s22;s23;s24;s25;s27;s27;s28;s28;s28;/rC:.5138,4.7826,1.6669;-2.4539,-1.0978,2.5463;-1.4108,-4.1243,-.1517;-1.1409,-1.3198,-.9164;-3.4065,-4.6353,1.876;-4.2629,-1.5671,4.7668;3.8028,1.7176,-3.9426;-2.1887,-3.0861,.4447;-1.3996,-1.7525,.4188;-2.5645,-3.4833,1.8988;-2.1393,-.6327,1.2142;-3.2495,-2.3038,2.6522;-1.4378,.6865,1.3135;-3.5083,-2.6048,4.1495;-.0288,.8003,1.3998;-2.1742,1.8931,1.314;.6511,2.0409,1.4503;-1.539,3.1426,1.4097;2.1458,2.0268,1.3968;-.1338,3.2213,1.5015;2.6564,1.9565,-.0022;3.4432,.8731,-.4646;2.3617,2.991,-.9225;3.8843,.81,-1.8006;2.7868,2.9336,-2.259;3.5214,1.8221,-2.7117;2.9918,1.159,-4.8532;3.5966,1.2351,-6.2645;-3.0993,-2.9757,-.1513;-.4366,-1.9703,.8851;-1.6507,-3.7577,2.4348;-3.0872,-.4658,.6883;-4.2279,-2.1226,2.1941;-2.5664,-2.7157,4.6907;-4.0786,-3.5294,4.2629;-1.1799,-3.8001,-1.0476;-.5659,-2.0104,-1.3076;-2.8894,-5.3255,1.4093;.5394,-.0453,1.4178;-3.1959,1.8811,1.2465;-2.1138,3.9893,1.4079;2.5213,1.1941,1.9998;2.5791,2.9055,1.8755;-4.43,-1.8828,5.6806;3.6986,.1067,.1627;1.8159,3.8051,-.6442;4.4505,.0173,-2.1145;2.5408,3.6924,-2.9004;2.0208,1.6656,-4.8738;2.8191,.1063,-4.607;2.9279,.7471,-6.9765;3.7267,2.2752,-6.5689;4.564,.7311,-6.2948; > C21 H25 Cl O6 > 408.8726 > ClC1C([H])=C([H])C(=C([H])C=1C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])C([H])([H])[H])[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H] > 8063384 $$$$