HMDB0297856 RDKit 3D DG(a-17:0/0:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 119118 0 0 0 0 0 0 0 0999 V2000 18.1889 1.6731 -2.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5043 0.3957 -1.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4429 -0.0600 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1851 -0.2017 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7506 0.0833 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1731 -1.1833 -0.2884 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7955 -0.9168 0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1574 -1.7707 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9470 -1.9428 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5898 -2.1444 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -1.7745 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3789 -1.1062 1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5965 -0.7775 2.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0483 -0.0863 3.4812 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0331 0.8436 3.1891 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 0.7355 3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6978 -0.2006 4.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5834 -0.1789 3.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 0.7785 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0225 0.0886 1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 0.0652 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 0.7110 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -0.4067 1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 0.0793 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 0.3956 2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 0.1773 0.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 0.5923 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 -0.3706 1.8801 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6112 -1.6332 1.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 0.1199 1.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 0.2691 0.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -0.6104 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -1.8364 -0.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.2969 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 1.1715 -1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 1.7160 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0042 0.9659 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0209 0.9827 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1531 0.0733 -0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3144 0.0245 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3756 -0.9448 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8832 -0.6557 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5069 0.6160 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7102 1.1315 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9569 0.3358 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0275 -0.9261 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4162 -1.5543 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0473 -0.6565 -2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2205 0.1592 -2.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9684 1.8938 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5206 2.5058 -2.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8095 1.4959 -3.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2477 0.4085 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3270 -0.3922 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6855 -0.2958 -3.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4695 -0.5498 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3737 0.6173 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 0.7144 -1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0820 -1.8877 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5977 0.0687 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6080 -2.0589 -2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0330 -2.9484 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 -2.6195 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8021 -1.9776 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4003 -0.8478 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5626 -1.0416 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 -0.7734 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 1.6221 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0650 1.2064 4.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5938 1.5122 3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -0.9762 4.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8114 -0.9385 3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0221 1.5223 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 1.4011 2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 -0.4416 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 -0.4827 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 1.3127 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 1.3897 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 -1.0591 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -1.0018 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 0.5383 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 1.5998 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -0.3532 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -2.2635 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 1.1261 2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 -0.5722 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5375 -0.9365 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.5447 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4444 1.2948 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 1.7051 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1479 1.9225 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 2.7566 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8287 -0.0930 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5084 1.4637 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4657 1.9862 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5944 0.5456 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7009 -0.9369 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5046 0.5149 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9717 -0.3751 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7663 1.0292 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1077 -1.0795 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8307 -1.9355 -1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4575 -1.5474 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9336 -0.7030 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7119 1.4325 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7315 0.5957 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9473 2.1336 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4674 1.4528 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0648 0.0253 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8787 0.9638 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3025 -1.6911 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7761 -1.2510 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1507 -1.2169 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3040 -2.6736 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0756 -0.1697 -2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0707 -1.6398 -3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9085 0.9284 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9744 -0.4910 -3.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7314 0.6225 -2.0999 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 28 30 1 0 30 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 1 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 1 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 27 81 1 0 27 82 1 0 28 83 1 1 29 84 1 0 30 85 1 0 30 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END