56610409 -OEChem-03282409572D 54 53 0 0 0 0 0 0 0999 V2000 2.5369 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.1946 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.2685 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.3054 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.9590 0.7685 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 18.4354 0.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 1.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 1.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 3 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M ISO 4 43 2 44 2 49 2 50 2 M END > 56610409 > 1 > 234 > 2 > 1 > 15 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,2,3,3-tetradeuteriooctadec-9-enoic acid > 2,2,3,3-tetradeuterio-9-octadecenoic acid > 2,2,3,3-tetradeuteriooctadec-9-enoic acid > 2,2,3,3-tetradeuteriooctadec-9-enoic acid > 2,2,3,3-tetradeuteriooctadec-9-enoic acid > 2,2,3,3-tetradeuteriooctadec-9-enoic acid > InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/i16D2,17D2 > ZQPPMHVWECSIRJ-RZOBCMOLSA-N > 6.5 > 286.280987307 > C18H34O2 > 286.5 > CCCCCCCCC=CCCCCCCCC(=O)O > [2H]C([2H])(CCCCCC=CCCCCCCCC)C([2H])([2H])C(=O)O > 37.3 > 286.280987307 > 0 > 20 > 0 > 0 > 0 > 1 > 4 > 1 > -1 > 1 5 255 > 16 17 1 $$$$