HMDB0261278 RDKit 3D PE(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 133132 0 0 0 0 0 0 0 0999 V2000 7.7042 -2.2924 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 -0.8769 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6579 -0.6396 -1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7598 0.2960 -1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 1.2020 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 2.6595 -0.7718 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9187 3.4905 0.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 3.0885 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 4.0167 -1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 4.3752 -2.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 5.2716 -1.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 5.9144 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 6.8197 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 7.5305 0.8075 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6380 6.9798 1.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 7.7005 1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 8.4258 2.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 8.0665 3.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 6.7882 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0146 6.0137 4.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 4.8004 4.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 4.0178 3.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 3.5494 2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 2.6911 1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 2.4253 1.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 2.1233 0.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 1.2893 -0.5257 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4427 -0.0724 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 -0.8396 -1.5817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 -2.1452 -1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 -2.6329 -1.2038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 -2.9269 -2.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 -4.3291 -3.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1749 -5.1831 -1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6314 -5.3670 -1.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 -6.2613 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 -6.5481 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -7.4044 1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 -6.8637 2.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -5.5917 3.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 -5.0684 4.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 -3.9046 4.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -2.9349 3.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -2.6019 3.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 -3.8599 3.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -3.7280 2.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -3.1474 3.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 -1.7251 4.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 1.9387 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 1.0938 -2.7937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 1.6854 -4.3514 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4822 1.0931 -5.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 3.3685 -4.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 1.3138 -5.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 1.3691 -6.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 1.0516 -7.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 1.1250 -8.5778 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7031 -2.7575 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2605 -2.2685 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0828 -2.8826 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 -0.9159 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -0.1132 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6038 -1.3048 -2.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 0.4120 -2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 1.1616 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 1.0234 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 2.8072 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 3.5122 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 2.6483 -2.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 4.4175 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 3.8904 -3.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 5.5218 -2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 5.7592 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3156 7.0276 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 8.6018 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 7.2963 2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 8.3556 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 6.6847 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 9.4058 2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 8.7487 4.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 6.2861 2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 7.0597 4.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 6.5409 5.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 4.3275 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 3.0250 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 4.4433 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 4.3665 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 2.9576 3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2611 1.1560 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 -0.5824 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 0.0856 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 -2.4122 -3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 -3.0399 -2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -4.2619 -3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 -4.8596 -3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 -4.8428 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 -6.2310 -2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -4.3670 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -5.7769 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 -7.2212 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 -5.7651 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -7.1394 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 -5.6338 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 -7.6860 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 -8.4057 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 -7.5915 3.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 -6.6143 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 -4.8571 2.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 -5.9506 3.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 -5.7000 5.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 -3.6080 5.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 -2.0245 3.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 -3.4185 2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.0753 4.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0765 -1.9089 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4409 -4.5331 4.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -4.3363 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -3.1124 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -4.7646 2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -3.7605 4.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -3.2968 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -1.1295 3.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -1.2287 4.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 -1.5585 5.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 2.9693 -1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 1.9566 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3925 3.5468 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 0.5806 -6.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 2.3688 -6.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 1.7156 -6.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5995 0.0181 -6.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 1.9169 -8.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.2088 -8.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 27 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 6 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 6 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 53127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 M END