Mrv1652303302019542D 49 48 0 0 1 0 999 V2000 -15.4539 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5538 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7395 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8394 -9.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0250 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1249 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3105 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4104 -9.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5961 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6960 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8816 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9815 -9.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1671 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4526 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -9.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7382 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0237 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3092 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5948 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8803 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1658 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4513 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0224 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5935 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2657 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -8.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4501 -8.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 -9.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -7.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 -9.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -8.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 -8.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -8.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 14 16 1 4 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 23 26 1 4 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 30 32 1 4 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 42 37 1 0 0 0 0 43 38 1 0 0 0 0 44 39 1 0 0 0 0 45 42 2 0 0 0 0 46 43 2 0 0 0 0 47 40 1 0 0 0 0 47 42 1 0 0 0 0 41 48 1 6 0 0 0 48 43 1 0 0 0 0 41 49 1 6 0 0 0 M END > CDB000968 > CDB > [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC=CCC=CCC=CCCCCC > InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,28,30,41,44H,3-11,13,15-17,19-22,24-27,29,31-40H2,1-2H3/t41-/m0/s1 > YLRMUYBMZOKJDS-RWYGWLOXSA-N > C43H78O5 > 675.0764 > 674.584925606 > 3 > 126 > 87.92018044235536 > 0 > 1 > 0 > 0 > (2S)-3-hydroxy-2-(octadeca-6,9,12-trienoyloxy)propyl docosanoate > 10.58 > 14.473878131999996 > -7.82 > 0 > 0 > 0 > 14.577784010567555 > -2.9834772737777513 > 72.83 > 207.85670000000005 > 39 > 0 > 1.01e-05 g/l > (2S)-3-hydroxy-2-(octadeca-6,9,12-trienoyloxy)propyl docosanoate > 0 > CDB000968 > DG(22:0/18:3(6Z,9Z,12Z)/0:0) $$$$