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0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 19 2 0 0 0 0 16 50 1 0 0 0 0 17 23 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 2 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > 20 1 6 10 15 6 27 2 6 28 3 5 4 12 5 5 31 6 6 32 6 > InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1 > LWQQLNNNIPYSNX-UROSTWAQSA-N > 1/0/N:15,30,12,13,14,16,17,21,22,23,7,8,19,9,25,29,10,26,11,18,24,27,5,6,20,28,4,2,1,3/E:(8,9)/it:im/rA:70cOOOCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s5;s6s7;s4;s5;s6;s4;s9;s11s13;s10;s10;d11;;d16;s1s18s19;s18;s18s21;s17;d23;s24;s24;s2s25;s3s26;s27s28;d26;s5;s6;s7;s7;s8;s8;s9;s9;s10;s12;s12;s12;s13;s13;s14;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;s21;s22;s22;s23;s1;s25;s25;s27;s28;s29;s29;s30;s30;s2;s3;/rC:6.2497,-.267,2.1962;-5.5643,-1.5332,-6.0522;-3.5906,1.8765,-3.9619;.7485,.0853,.4812;1.097,1.1649,1.5818;-.8192,.0868,.5972;-.0434,2.2209,1.5328;-1.1795,1.5903,.7121;1.2522,-1.3828,.766;2.5253,1.7831,1.7959;-1.5203,-.8052,-.3441;1.2552,.4943,-.9471;.2903,-2.5322,.3321;-.901,-2.1191,-.5801;3.0845,2.8276,.7852;3.5234,.7395,1.9669;-2.6577,-.417,-.9683;5.8698,-.7499,4.535;4.2097,.4746,3.0891;5.2213,-.5651,3.14;6.9204,-1.8607,4.7006;5.5406,-2.0096,5.3545;-3.4092,-1.0873,-1.8848;-4.4538,-.6225,-2.6099;-5.0606,-1.4591,-3.6561;-4.9927,.6466,-2.5259;-4.9074,-.7729,-5.0421;-4.9388,1.4575,-3.7508;-5.4616,.6777,-4.9926;-5.5642,1.1132,-1.4006;.9166,.6506,2.5376;-1.1052,-.3392,1.5695;-.3921,2.474,2.5393;.2478,3.1591,1.0597;-1.2182,2.052,-.2797;-2.1511,1.7474,1.1888;1.4453,-1.5133,1.8342;2.2275,-1.5671,.3059;2.4429,2.3608,2.726;.9485,1.4995,-1.2361;.901,-.1828,-1.7246;2.343,.4541,-1.0067;.8524,-3.3344,-.1563;-.1339,-2.9803,1.2365;-.5588,-2.1465,-1.6184;-1.6524,-2.9072,-.4744;2.4343,3.695,.6819;4.0484,3.2126,1.1294;3.2483,2.4144,-.2081;3.7169,.1862,1.1644;-2.9978,.4833,-.7451;6.1217,.1441,5.1119;4.0279,1.0186,3.9027;4.7585,-1.5021,2.8159;7.7467,-1.6337,5.3763;7.1178,-2.4691,3.8158;5.5097,-1.8799,6.4369;4.8904,-2.7575,4.8965;-3.1343,-2.0233,-2.0649;6.6261,.5939,2.4743;-6.1197,-1.6145,-3.4273;-4.6286,-2.4622,-3.7302;-3.8456,-.739,-5.3074;-5.5194,2.3831,-3.6785;-5.1972,1.2093,-5.9105;-6.5537,.6369,-4.9468;-5.9515,2.0259,-1.3532;-5.6214,.5653,-.5743;-5.1394,-2.4167,-6.018;-3.3753,2.4474,-3.1934; > C27 H40 O3 > 412.6047 > O([H])[C@]([H])(/C(/[H])=C(\[H])/[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])/C(=C(\[H])/C(/[H])=C3\C(=C([H])[H])[C@]([H])(C([H])([H])[C@@]([H])(C\3([H])[H])O[H])O[H])/C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C1([H])C([H])([H])C1([H])[H] > 4450880 $$$$