HMDB0260922 RDKit 3D PE(16:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 128127 0 0 0 0 0 0 0 0999 V2000 -15.7539 0.4374 -1.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5742 1.0363 -1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6170 0.4947 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4896 1.0297 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1447 0.6700 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9836 1.1856 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9118 0.6976 2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8106 -0.7543 3.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7496 -1.5706 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -1.3445 2.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7911 -0.0431 2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3172 0.1230 2.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 -0.9008 2.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 -0.9248 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0058 0.3521 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.7835 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 1.2186 1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 0.7491 -0.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 1.1889 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 1.0476 -1.1565 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2040 -0.3851 -1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -0.6369 -2.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 -2.2730 -3.0379 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1095 -2.8497 -2.9333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -3.1828 -2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -2.3969 -4.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 -1.5569 -4.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 -1.7242 -6.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 -0.9097 -6.3083 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.5061 -0.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 2.6149 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 3.1991 -2.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 3.0610 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 1.9805 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 0.6901 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 0.7788 -1.5978 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2139 1.6344 -2.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 -0.5770 -2.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9924 -0.3618 -3.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 -1.3925 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -1.0025 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3493 -1.7535 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4565 -1.3124 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 -2.0137 2.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 -1.5738 2.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8171 -0.3324 2.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 0.0905 3.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6200 1.3513 2.6788 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8543 1.4170 3.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7772 1.5134 1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5668 0.4312 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9719 0.2650 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5813 -0.8710 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5223 -0.4591 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6861 0.8920 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6013 0.5010 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7549 -0.6625 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6577 0.7754 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7213 2.1194 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6621 -0.6179 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5685 0.8528 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6569 0.6213 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6380 2.1417 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0858 -0.4373 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0530 0.9988 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1503 2.3055 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0262 1.1137 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2829 1.3467 3.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9857 0.9587 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7927 -0.9075 4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8208 -1.2379 2.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9860 -2.6796 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7726 -1.5630 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2829 -1.4123 3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -2.2056 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9306 0.0744 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3062 0.7862 2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0409 1.1583 2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2798 -0.0088 3.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -0.7368 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6888 -1.9033 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8242 -1.7608 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 -1.1201 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7313 1.1695 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0248 0.2001 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 2.2821 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 0.6682 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 1.6674 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -1.0364 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.7533 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -4.1238 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -0.5099 -4.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.8536 -3.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 -1.4292 -6.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -2.7875 -6.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 0.0681 -5.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -1.3018 -5.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 3.9032 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 3.4411 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.7718 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 2.2903 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 0.0264 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 0.1197 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6326 1.2387 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 1.1844 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -1.0740 -2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 0.1328 -2.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -2.3148 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1577 -0.0592 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 -2.6655 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -0.3817 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6745 -2.9601 2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6918 -2.1202 3.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4710 0.3226 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3545 -0.5187 3.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 2.2371 3.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9597 2.1815 3.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2310 2.5316 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7755 1.5442 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9969 -0.5243 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5124 0.5931 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0280 -0.1092 2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 1.1760 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0310 -1.8032 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6345 -1.0392 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4683 -0.7406 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 -0.9200 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4271 0.6544 -1.3366 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 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 0 19 87 1 0 20 88 1 6 21 89 1 0 21 90 1 0 25 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 1 37105 1 0 38106 1 6 39107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 1 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END