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-2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 -3.3124 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 5.2030 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 3.9329 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 2.6322 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7572 3.1885 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 4.4530 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -4.7227 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3056 -6.1444 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8115 4.9269 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0487 6.1945 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -3.8333 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 -5.1596 -2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4147 5.8731 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1105 4.1689 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 5.4409 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3572 -5.0421 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 15 3 1 0 0 0 0 3 45 1 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 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 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END > 15 3 5 6 11 5 7 12 6 8 28 5 9 29 6 > InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 > YIBNHAJFJUQSRA-YNNPMVKQSA-N > 1/1/N:24,22,20,16,18,19,13,21,17,11,23,14,12,10,15,6,7,8,9,25,3,4,5,1,2/E:(22,23)/it:im/rA:57cOOOOOCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;;;;;s6;s1s6;s2s7;s8s9;s6;s7;s11;d12;s3s14;d13;s15;s16;s17;s19;s18;s20;s21;s22;s4d5s23;s6;s7;s8;s9;s10;s10;s11;s11;s12;s13;s14;s15;s16;s17;s17;s18;s18;s19;s19;s3;s20;s20;s21;s21;s22;s22;s23;s23;s24;s24;s24;s4;/rC:1.7007,-1.4302,2.9347;2.2383,-.2151,2.8886;-1.093,2.5997,-2.7193;7.1851,-5.5621,-1.0606;5.8983,-6.3968,.3429;.3397,-.9922,.9352;.9828,.4305,.8968;.3568,-1.2727,2.4647;1.2002,.6573,2.42;-.0113,.0511,3.1384;1.0882,-2.0093,.0384;.095,1.3972,.2809;.5624,-3.3597,-.031;.2452,2.1045,-.8515;-.7443,3.0312,-1.4043;1.1657,-4.3785,-.6653;-2.0553,3.202,-.5832;2.4377,-4.3334,-1.3716;-3.1252,4.2041,-1.0565;-4.3378,4.1988,-.0859;3.5545,-5.0792,-.5982;-5.4578,5.1814,-.4897;4.9672,-4.8934,-1.2135;-6.6584,5.1623,.4795;6.0484,-5.6489,-.6139;-.7107,-.9907,.6128;1.9608,.4522,.4021;-.2899,-2.102,2.7614;1.4052,1.6975,2.6865;.0751,.0433,4.2291;-.9881,.4537,2.8552;1.0838,-1.6084,-.9798;2.1269,-2.0518,.378;-.7425,1.5088,.7911;-.3091,-3.5459,.4122;1.0896,1.9886,-1.3655;-.2711,4.0121,-1.4956;.7054,-5.2609,-.6471;-1.7716,3.5173,.4264;-2.537,2.2201,-.5189;2.3013,-4.7823,-2.3584;2.7745,-3.3124,-1.5659;-2.6834,5.203,-1.0961;-3.4545,3.9329,-2.0624;-.265,2.6322,-3.2435;-4.7572,3.1885,-.0395;-3.9949,4.453,.9223;3.5855,-4.7227,.4371;3.3056,-6.1444,-.5755;-5.8115,4.9269,-1.4921;-5.0487,6.1945,-.5231;5.2313,-3.8333,-1.1509;4.9211,-5.1596,-2.2728;-7.4147,5.8731,.1441;-7.1105,4.1689,.5154;-6.346,5.4409,1.488;7.3572,-5.0421,-1.7503; > C20 H32 O5 > 352.4651 > O1[C@@]2([H])C([H])([H])[C@]([H])([C@]([H])(/C(/[H])=C(\[H])/[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[H])[C@@]2([H])C([H])([H])/C(/[H])=C(/[H])\C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])O1 > 392800 $$$$