HMDB0285475 RDKit 3D PE(P-18:1(9Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 129129 0 0 0 0 0 0 0 0999 V2000 -3.3310 -6.5312 2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 -7.1436 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2969 -6.5187 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5699 -5.0484 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 -4.5327 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4782 -3.0540 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 -2.5285 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3437 -1.0149 -1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8862 -0.5363 -2.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 0.3763 -3.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 1.0675 -3.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2961 2.5623 -2.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 3.3785 -2.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 3.2377 -3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 3.6255 -4.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 3.4709 -5.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 4.3471 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 3.9772 -4.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 4.9099 -4.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 4.8045 -4.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 3.7035 -3.1692 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9021 3.7098 -1.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 2.4794 -1.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 2.4003 -0.0204 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8187 3.6506 0.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 2.3102 1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 1.0828 -0.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 0.9256 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -0.2377 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -0.3781 -3.3031 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 3.6370 -2.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 2.5505 -3.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 1.5762 -3.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 2.4269 -2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 1.9171 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 0.5252 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7621 0.2372 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -0.0294 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5834 -0.0696 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -1.4003 1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 -1.6276 2.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -0.5734 3.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 -0.7429 5.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 0.1318 5.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 1.4290 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6413 1.6013 5.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 2.8313 5.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 1.5867 4.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0805 1.4871 4.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 0.2594 5.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -1.0406 4.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5962 -2.2294 5.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8889 -2.2265 7.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -6.4108 3.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -7.2080 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1241 -5.5762 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -8.2134 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -7.1392 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2991 -7.0299 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6906 -6.7602 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 -4.4618 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2903 -4.8693 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -5.0910 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 -4.7646 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 -2.5152 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2415 -2.9619 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0595 -3.0265 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 -2.7514 -2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1737 -0.9064 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5001 -0.4975 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8308 -0.9643 -2.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7923 0.6637 -4.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 0.7450 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 0.8554 -3.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0932 2.7707 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6872 2.9114 -3.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 4.4367 -2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7271 2.9761 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 3.7889 -3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 2.1565 -3.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 4.6981 -5.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1218 3.0263 -5.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 3.7072 -6.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6981 2.4010 -5.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 5.4242 -5.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 2.9412 -4.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0044 4.5522 -5.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 5.7716 -3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 2.7292 -3.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 4.5582 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 3.7965 -2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 1.4714 1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 1.8467 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 0.6921 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1654 0.0041 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -1.1899 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 0.4903 -3.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 -1.2043 -3.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 3.4785 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.9066 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 1.9025 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 2.6348 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7893 -0.1829 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 0.3371 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 0.2353 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 -0.2335 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 0.0944 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 0.7573 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 -2.3121 1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 -2.6583 3.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0663 0.4170 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -0.6788 3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 -1.7193 5.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 -0.1422 6.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 1.7610 4.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 2.1958 6.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 1.1305 6.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 1.7885 3.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 1.4072 3.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5333 2.3782 5.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9564 0.2601 6.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5621 0.2627 5.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 -1.1559 4.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 -1.1982 4.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3947 -3.1774 5.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 -2.1862 6.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -2.3148 7.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -3.1676 7.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 -1.3997 7.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 48 46 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 20 87 1 0 20 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END