45 47 0 0001 0 0 0 0 0999 V2000 5.4190 -0.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.6174 -1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7477 -2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8028 -1.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.4711 -2.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.3408 -4.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0382 -4.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3869 -3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6895 -5.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.0872 -4.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0872 -5.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.7386 -3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.0872 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2075 -1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.0872 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9540 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.7846 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.7846 -0.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0.6513 -1.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1333 -3.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.7846 -4.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6513 -4.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1.7846 -5.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.5262 -4.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.7116 -6.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.6756 -5.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4380 -5.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 9.5483 -6.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.8249 -6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.0854 -7.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 12.0624 -6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.0264 -5.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.2287 -4.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.4662 -5.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 12.1927 -4.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.3560 -3.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.3199 -3.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 10.0824 -2.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.0794 -4.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8058 -2.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.8419 -3.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.3990 -3.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.5844 -3.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 3 44 1 0 5 6 1 0 6 7 1 0 6 9 1 6 6 26 1 0 7 8 1 0 9 10 1 0 10 11 1 1 10 12 1 0 10 23 1 0 12 13 1 0 13 14 1 6 13 15 1 0 13 17 1 0 15 16 1 0 17 18 1 1 17 19 1 0 17 20 1 0 20 21 1 6 20 22 1 0 20 23 1 0 23 24 1 1 23 25 1 0 26 27 1 6 26 44 1 0 27 28 1 0 28 29 1 1 28 30 1 0 28 41 1 0 30 31 1 0 31 32 1 6 31 33 1 0 31 35 1 0 33 34 1 0 35 36 1 1 35 37 1 0 35 38 1 0 38 39 1 6 38 40 1 0 38 41 1 0 41 42 1 1 41 43 1 0 44 45 1 1 M END > InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1 > QWIZNVHXZXRPDR-WSCXOGSTSA-N > 1/0/N:34,15,2,7,32,13,3,36,17,45,39,20,42,23,26,29,10,6,35,16,1,8,38,19,47,41,22,44,25,31,12,28,5,9/it:im/rA:47cOCCHOCCOOCHOCHCOCHOCHOCHOCHOCHOCHCOCHOCHOCHOCHO/rB:s1;s2;P3;s3;s5;s6;s7;N6;s9;P10;s10;s12;N13;s13;s15;s13;P17;s17;s17;N20;s20;s10s20;P23;s23;s6;s26;N26;s28;P29;s29;s31;N32;s32;s34;s32;P36;s36;s36;N39;s39;s29s39;P42;s42;s3s26;s45;P45;/rC:5.419,-.8207,0;6.6174,-1.3547,0;6.7477,-2.6444,0;7.8028,-1.8888,0;5.4711,-2.9179,0;5.3408,-4.2205,0;4.0382,-4.2205,0;3.3869,-3.0872,0;4.6895,-5.3408,0;3.0872,-4.2205,0;3.0872,-5.5232,0;3.7386,-3.0872,0;3.0872,-1.954,0;4.2075,-1.3026,0;3.0872,-.6513,0;1.954,0,0;1.7846,-1.954,0;1.7846,-.6513,0;.6513,-1.3026,0;1.1333,-3.0872,0;0,-2.4359,0;0,-3.7386,0;1.7846,-4.2205,0;.6513,-4.8588,0;1.7846,-5.5232,0;6.5262,-4.7416,0;6.1224,-5.9791,0;7.7116,-6.3178,0;8.6756,-5.445,0;7.438,-5.0412,0;9.5483,-6.409,0;10.8249,-6.1354,0;11.0854,-7.412,0;12.0624,-6.5392,0;13.0264,-5.6665,0;11.2287,-4.8979,0;12.4662,-5.3017,0;12.1927,-4.0251,0;10.356,-3.934,0;11.3199,-3.0612,0;10.0824,-2.6574,0;9.0794,-4.2075,0;8.8058,-2.9309,0;7.8419,-3.8037,0;7.399,-3.7776,0;8.4541,-4.5462,0;8.5844,-3.2436,0; > C18 H32 O16 > 504.4371 > OC[C@@]1([C@](O)([H])[C@@](O[C@@]2([C@@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](CO)([H])O2)[H])([H])[C@@](O[C@@]2([C@@](O)([H])[C@](O)([H])[C@@](O)([H])[C@](CO)([H])O2)[H])(CO)O1)[H] > 83787 $$$$