HMDB0007355 RDKit 3D DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 18.8826 -0.8797 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8638 -2.0342 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9941 -1.7861 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7045 -1.6400 0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 -1.7179 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9702 -2.7998 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6979 -2.6010 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1272 -1.2716 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2017 -0.9142 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9154 -0.6464 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2580 -0.6762 -1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 0.4985 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7293 1.7235 -1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 2.3386 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 3.1659 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 2.5977 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 1.4855 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 1.2087 1.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 0.4364 2.8664 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 1.7779 1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 1.6287 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 0.1999 1.2855 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2136 -0.4630 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 -1.8354 0.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 0.0898 1.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 -0.4684 2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -0.9145 3.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -0.5465 2.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 0.7510 3.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1906 1.9467 2.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 2.0805 1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 1.0906 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 1.5161 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 1.6871 -1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 0.4880 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 0.7588 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2196 1.8436 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6696 2.1451 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4063 0.9223 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8959 1.2915 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5363 1.7333 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5874 1.1770 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2551 0.0135 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3100 -1.1951 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0547 -0.8872 -1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4640 -0.4559 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3661 -1.4185 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5357 -2.7434 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5048 -3.5454 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7906 -4.9063 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8093 -1.2312 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1206 -0.5370 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4302 -0.0414 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4762 -2.1769 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4542 -2.9685 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4760 -1.7147 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1510 -1.4532 1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5786 -0.7136 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -1.9027 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 -3.8088 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0423 -3.4747 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 -1.3432 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8648 -0.4614 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5939 -0.8635 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3508 -0.4349 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8158 -1.3303 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -1.3930 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2219 0.2822 -3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 2.4459 -2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 1.6879 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 3.1253 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 3.6369 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 4.0517 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 3.4283 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 2.2563 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3461 0.5425 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 1.7811 2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 2.0342 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 2.2778 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1295 -0.3047 2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 -0.1290 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3072 -0.3120 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2205 -2.3256 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -1.0477 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0108 -1.2606 3.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4997 0.6043 3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 0.9848 4.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 2.8546 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0829 2.1995 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 2.2896 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 3.0984 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.0433 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 1.0978 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 2.5044 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 0.8037 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 2.6139 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 1.9033 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 0.1633 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 -0.3478 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4254 1.0973 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5506 -0.1669 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 2.7769 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 1.4587 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8673 3.0179 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0947 2.3551 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9865 0.4795 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4371 0.1479 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3908 0.5585 2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8081 2.2153 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1122 2.6052 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0214 1.5808 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3493 0.3108 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9637 -0.2729 1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2455 -1.3828 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6413 -2.0805 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5192 -0.0142 -2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9817 -1.6912 -2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8934 -0.2474 -2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5612 0.5206 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0749 -1.5254 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3873 -0.9415 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5943 -3.2846 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0201 -2.6043 -2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0961 -3.5547 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4347 -2.9429 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8879 -4.9881 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6236 -5.6462 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1966 -5.1647 -2.3402 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 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 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 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 1 23 81 1 0 23 82 1 0 24 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 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 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END