6437081 Mrv1652307301920082D 138137 0 0 1 0 999 V2000 5.2224 -1.6995 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 -0.9851 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6350 -2.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.6995 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0790 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -2.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 3.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 4.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -4.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -5.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 5.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 -6.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -2.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -2.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -0.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 -1.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -1.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -2.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 -2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -2.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -0.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1223 -1.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -1.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9817 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3240 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0386 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3344 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0057 3.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6096 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2672 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 3.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7276 3.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4360 -3.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7649 -4.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1580 -4.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -3.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4106 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7530 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8396 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1820 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1251 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6843 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0132 2.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0490 4.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7201 4.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4435 -3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1147 -2.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1506 -4.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4793 -5.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8965 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5541 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5526 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8951 -0.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4106 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7530 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 2.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2912 1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1251 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 4.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 4.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7215 -2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0503 -3.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8725 -5.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5437 -4.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2685 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6110 6.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0386 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8382 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 0.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 1.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -1.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -0.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 -1.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8650 -6.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1938 -6.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 5.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3255 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9831 5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 6.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9802 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 0.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 -0.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8275 -7.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 -6.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3390 -6.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6245 5.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 6.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1130 6.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 15 1 0 0 0 0 3 49 1 0 0 0 0 4 42 1 0 0 0 0 4 51 1 0 0 0 0 5 50 1 0 0 0 0 5 52 1 0 0 0 0 8 51 2 0 0 0 0 9 52 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 14 65 1 0 0 0 0 15 66 1 0 0 0 0 15 67 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 17 23 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 31 1 0 0 0 0 18 74 1 0 0 0 0 18 75 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 27 1 0 0 0 0 20 76 1 0 0 0 0 20 77 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 78 1 0 0 0 0 21 79 1 0 0 0 0 22 29 1 0 0 0 0 22 80 1 0 0 0 0 22 81 1 0 0 0 0 23 34 1 0 0 0 0 23 82 1 0 0 0 0 23 83 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 24 84 1 0 0 0 0 24 85 1 0 0 0 0 25 32 1 0 0 0 0 25 86 1 0 0 0 0 25 87 1 0 0 0 0 26 33 1 0 0 0 0 26 88 1 0 0 0 0 26 89 1 0 0 0 0 27 35 1 0 0 0 0 27 90 1 0 0 0 0 27 91 1 0 0 0 0 28 36 1 0 0 0 0 28 92 1 0 0 0 0 28 93 1 0 0 0 0 29 37 1 0 0 0 0 29 94 1 0 0 0 0 29 95 1 0 0 0 0 30 38 1 0 0 0 0 30 96 1 0 0 0 0 30 97 1 0 0 0 0 31 40 1 0 0 0 0 31 98 1 0 0 0 0 31 99 1 0 0 0 0 32 39 1 0 0 0 0 32100 1 0 0 0 0 32101 1 0 0 0 0 33 41 1 0 0 0 0 33102 1 0 0 0 0 33103 1 0 0 0 0 34 43 1 0 0 0 0 34104 1 0 0 0 0 34105 1 0 0 0 0 35 46 1 0 0 0 0 35106 1 0 0 0 0 35107 1 0 0 0 0 36 44 1 0 0 0 0 36108 1 0 0 0 0 36109 1 0 0 0 0 37 45 1 0 0 0 0 37110 1 0 0 0 0 37111 1 0 0 0 0 38 47 1 0 0 0 0 38112 1 0 0 0 0 38113 1 0 0 0 0 39 48 1 0 0 0 0 39114 1 0 0 0 0 39115 1 0 0 0 0 40 51 1 0 0 0 0 40116 1 0 0 0 0 40117 1 0 0 0 0 41 52 1 0 0 0 0 41118 1 0 0 0 0 41119 1 0 0 0 0 42 49 1 0 0 0 0 42 50 1 0 0 0 0 42120 1 0 0 0 0 43 44 2 0 0 0 0 43121 1 0 0 0 0 44122 1 0 0 0 0 45 53 1 0 0 0 0 45123 1 0 0 0 0 45124 1 0 0 0 0 46 48 2 0 0 0 0 46125 1 0 0 0 0 47 54 1 0 0 0 0 47126 1 0 0 0 0 47127 1 0 0 0 0 48128 1 0 0 0 0 49129 1 0 0 0 0 49130 1 0 0 0 0 50131 1 0 0 0 0 50132 1 0 0 0 0 53133 1 0 0 0 0 53134 1 0 0 0 0 53135 1 0 0 0 0 54136 1 0 0 0 0 54137 1 0 0 0 0 54138 1 0 0 0 0 M CHG 2 6 -1 10 1 M END > FDB022133 > foodb > [H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21- > SNKAWJBJQDLSFF-YEUCEMRASA-N > C44H84NO8P > 786.1134 > 785.593455181 > 4 > 138 > 96.78472870211996 > 0 > 0 > 0 > 0 > [2-({2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono}oxy)ethyl]trimethylazanium > 9.168227725861586 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309169755 > 111.19 > 236.5023 > 42 > 0 > [2-({2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono}oxy)ethyl]trimethylazanium > 0 > FDB022133 > PC(18:1(9Z)/18:1(9Z)) $$$$