HMDB0294615 RDKit 3D DG(12:0/0:0/20:3(5Z,11Z,14Z)-O(8,9)) 101101 0 0 0 0 0 0 0 0999 V2000 -14.1795 3.5950 2.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8087 3.3593 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1826 2.2314 2.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8349 1.8146 1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7946 1.3060 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6456 0.1381 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2645 -1.0366 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8451 -1.4198 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8335 -1.8992 -1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1671 -1.4914 -2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2079 -0.4365 -2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6827 0.3958 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9492 -0.0287 -0.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2689 0.7207 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2266 -0.1102 -2.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -1.5169 -2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -2.0824 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -1.4855 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.4764 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 -0.8761 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 -1.6704 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 -2.8111 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 -1.2517 -0.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 -1.9050 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 -3.1362 -0.0147 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6432 -4.0314 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -2.5544 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 -1.7042 1.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.1359 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5766 -3.3726 0.5463 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 -1.2513 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 -1.6106 1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9117 -0.7436 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 -0.9062 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6305 -0.0746 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7908 -0.4035 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9789 0.4247 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7748 1.9079 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0961 2.5613 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0115 4.0583 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7206 4.5086 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0288 4.3064 3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9468 3.8868 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5351 2.6203 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9854 3.1538 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2256 4.3001 1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8527 1.3367 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0731 2.5610 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1183 2.6752 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4478 1.0556 2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7339 1.2069 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1682 2.1748 -0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7314 0.2625 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9864 -1.8347 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1931 -0.6109 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6589 -2.3199 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5297 -2.7802 -1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3799 -2.0755 -3.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6676 0.3071 -3.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3516 -0.8274 -3.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3595 1.3126 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9646 1.7297 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 -0.1316 -3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 0.4169 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -2.0803 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3289 -3.1430 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -0.4849 -1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -2.1146 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.5435 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -1.0124 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -0.6012 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 0.1010 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -1.2207 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2286 -2.2084 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 -3.5557 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 -4.2464 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 -3.3709 2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -1.9513 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3448 -0.1823 0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.3691 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3773 -1.3586 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 -2.6941 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 0.3261 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 -0.9420 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 -0.5222 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6923 -1.9628 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3758 0.9856 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9243 -0.3827 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 -0.2550 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0752 -1.4761 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2318 0.1451 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8296 0.1565 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 2.2562 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 2.1779 1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3175 2.2553 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9017 2.2203 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2307 4.4159 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9883 4.4589 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6419 4.4895 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2428 3.8250 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 5.5391 1.2524 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 2 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 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 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 14 12 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 27 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END