21 21 0 0001 0 0 0 0 0999 V2000 10.7228 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3928 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.2410 -1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6074 -1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4555 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3037 -1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.4242 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.0892 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7592 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.8746 -1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.8746 -3.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.7228 -3.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.7228 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.5710 -5.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4191 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.2673 -5.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1154 -3.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.1154 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9636 -5.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 1 2 2 0 2 3 1 0 10 3 1 1 11 4 1 1 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 10 1 0 9 11 1 0 10 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 20 1 0 19 20 2 0 20 21 1 0 M END > InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1 > CCPPLLJZDQAOHD-GJGKEFFFSA-N > 1/1/N:8,7,6,13,14,12,15,1,16,5,2,17,4,3,18,11,10,20,19,21,9/E:(19,20)/it:im/rA:21cCCCCCCCCOCCCCCCCCCOCO/rB:d1;s2;;s4;s5;s6;s7;;p3s9;p4s9s10;s1;s12;s13;s14;s15;s16;s17;;s18d19;s20;/rC:10.7228,-1.1518,0;9.3928,-1.1518,0;8.241,-1.8168,0;4.6074,-1.8168,0;3.4555,-1.1518,0;2.3037,-1.8168,0;1.1518,-1.1518,0;0,-1.8168,0;6.4242,0,0;7.0892,-1.1518,0;5.7592,-1.1518,0;11.8746,-1.8168,0;11.8746,-3.1468,0;10.7228,-3.8118,0;10.7228,-5.1417,0;9.571,-5.8067,0;8.4191,-5.1417,0;7.2673,-5.8067,0;6.1154,-3.8118,0;6.1154,-5.1417,0;4.9636,-5.8067,0; > C18 H32 O3 > 296.4449 > C(=C/C[C@H]1[C@H](O1)CCCCC)/CCCCCCCC(O)=O > 4952464 $$$$