HMDB0293652 RDKit 3D CDP-DG(i-15:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 149150 0 0 0 0 0 0 0 0999 V2000 7.4934 -2.2265 -3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -1.2548 -3.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4455 -0.5711 -4.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 -0.6061 -5.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -1.3111 -5.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -2.3766 -6.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 -1.6414 -8.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 -2.9924 -6.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -4.0902 -7.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -4.5381 -7.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -5.6310 -7.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 -6.0006 -7.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 -4.9333 -6.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 -5.0840 -5.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -6.3612 -4.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -6.4444 -4.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 -6.5240 -2.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -6.5563 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 -5.3483 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -4.5901 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 -4.9483 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 -3.9864 -2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6183 -2.7113 -1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -2.0586 -2.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -2.1342 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 -0.9109 -0.2265 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8938 -1.0244 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 0.0999 1.8029 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 0.6292 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 0.0616 0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2441 1.8439 2.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 1.5362 3.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 0.3041 4.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5773 -0.0990 5.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 -0.3249 6.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 0.8554 6.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 0.4395 6.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 1.6687 6.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 1.3291 7.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 0.4560 6.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 0.1290 6.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -0.7498 5.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2444 -2.0561 5.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8881 -0.0522 4.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 0.1468 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 0.2277 -1.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 1.4839 -2.0051 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9277 1.0034 -3.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 1.8217 -0.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 2.8396 -2.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 3.9124 -3.3923 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6206 3.4919 -3.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 4.0134 -5.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 5.4827 -2.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 5.6050 -2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 6.9484 -2.0335 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7246 6.9905 -0.7703 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 7.2862 0.1651 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1751 6.6504 1.4073 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7052 6.1912 2.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 5.5806 3.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 5.4629 3.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 4.8485 4.9325 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 5.9373 2.8028 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 6.5198 1.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 6.9207 0.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 6.6595 -0.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6267 7.3605 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 6.9364 -1.8660 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9084 8.1974 -2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -2.1736 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 -3.2763 -3.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2836 -1.9719 -4.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 -1.6789 -3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 -0.4739 -2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3695 -0.0106 -5.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 -0.0466 -6.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.5700 -5.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0808 -1.8674 -4.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 -3.0676 -6.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -2.2087 -8.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -2.4413 -6.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -4.6576 -7.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 -3.9306 -6.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 -6.2840 -8.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 -7.0051 -6.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 -5.9213 -8.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -3.9011 -6.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 -4.2099 -4.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -7.1921 -5.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -6.5479 -3.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -6.4389 -4.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8275 -6.5702 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2039 -7.3754 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -6.8844 -2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7493 -5.0416 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 -3.6848 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -4.8997 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -5.9772 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -4.4803 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -3.6976 -3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -0.6000 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 -1.1539 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.9689 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 1.8921 1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 2.7119 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 1.2620 3.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 2.3965 4.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 0.4247 3.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -0.5683 3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 0.6921 6.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2297 -1.0310 5.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -0.9310 6.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 -1.0636 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 1.3175 7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 1.6810 5.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -0.1663 5.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 -0.1636 7.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 2.2825 6.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 2.3114 7.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 0.8269 8.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 2.2591 7.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.5179 6.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 0.9167 5.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 -0.3809 7.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9959 1.0549 6.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0517 -0.9073 5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 -2.3833 6.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -1.9581 4.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9295 -2.8251 5.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -0.4806 3.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 -0.2355 3.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0932 1.0211 4.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3771 -0.1017 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 1.1550 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 1.4710 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 3.1901 -5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 5.5014 -3.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1682 4.8249 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4746 7.7885 -2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 8.3795 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 6.2942 2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 5.2258 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 4.4298 4.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 4.8065 5.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 5.5848 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 6.7074 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 6.1649 -2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 8.9032 -2.1313 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 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 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 1 0 42 43 1 0 42 44 1 0 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 62 64 2 0 64 65 1 0 65 66 2 0 58 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 56 1 0 65 59 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 6 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 49136 1 0 53137 1 0 55138 1 0 55139 1 0 56140 1 6 58141 1 1 60142 1 0 61143 1 0 63144 1 0 63145 1 0 67146 1 6 68147 1 0 69148 1 6 70149 1 0 M END