HMDB0007328 RDKit 3D DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0) 98 97 0 0 0 0 0 0 0 0999 V2000 10.2349 4.9634 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 3.9152 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6585 3.4535 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 2.2003 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 1.1440 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1976 0.1238 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9007 -1.1331 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6685 -1.7596 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -2.3933 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 -2.4992 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -1.9537 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 -3.0029 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -3.0765 -2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6593 -2.1075 -2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -1.4942 -3.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -0.5235 -3.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 0.7507 -3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 0.6278 -1.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 1.1763 -0.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 -0.0664 -1.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 -0.2438 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 -1.0611 0.5693 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0499 -2.4960 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -2.4160 -1.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -0.5426 0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -0.2863 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 -0.5256 1.9685 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 0.2696 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4547 -0.9433 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -1.8510 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 -1.2215 1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0814 -0.7611 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 -1.9154 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1178 -1.3578 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8642 -0.7613 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2711 0.4755 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9999 1.5027 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1819 2.6226 0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9080 3.2685 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2317 3.8622 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5927 4.7189 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0528 5.9833 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2868 4.9261 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2136 4.5300 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8389 3.1814 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 4.2092 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 1.9029 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1563 0.7301 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4034 1.4455 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 0.4399 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -1.7649 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9162 -1.0495 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5414 -2.5351 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4002 -2.8675 2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -3.0432 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0729 -1.4403 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7109 -1.1057 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6099 -3.7996 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -3.9059 -2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -2.6900 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 -1.3364 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -1.0448 -3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 -2.3559 -4.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.3341 -4.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 -1.0619 -3.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 1.3175 -3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 1.4098 -3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 0.6917 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -0.8404 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -1.2143 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 -3.0464 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.9379 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 -1.7847 -1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3506 0.8133 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3724 0.8479 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3386 -0.5523 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -1.5058 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 -2.2128 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 -2.7643 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2493 -0.3693 2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0463 -1.9319 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8461 -0.0116 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7498 -0.2964 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1095 -2.6783 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -2.3862 -0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6836 -2.2123 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8109 -0.6859 -0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1212 -1.4526 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8375 0.7723 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4591 1.0715 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9938 1.9134 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9742 3.4201 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2403 2.2069 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1270 2.5715 2.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2310 4.0571 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1795 4.1819 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0568 3.1334 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4122 4.7791 1.9935 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 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 21 68 1 0 21 69 1 0 22 70 1 1 23 71 1 0 23 72 1 0 24 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 M END