HMDB0052553 RDKit 3D TG(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -2.4107 -8.6797 4.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 -8.2187 5.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -9.3379 6.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -8.8029 7.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 -7.9499 7.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 -7.4113 9.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 -6.1170 9.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4877 -5.1318 8.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 -4.2361 8.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 -2.9402 8.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -2.2087 8.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -1.2574 9.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 0.0497 9.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 0.5297 7.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 1.5052 7.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3969 2.6673 6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 3.2161 6.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 3.3775 5.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 2.7332 4.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8382 1.8305 5.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 0.4055 4.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.0508 3.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 0.8891 2.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -1.2618 3.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 -1.8234 1.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -1.4363 1.1721 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9270 -2.3262 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -2.1965 -0.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.9813 -1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 -3.7753 -2.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -2.8277 -2.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 -1.9957 -3.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -1.8576 -4.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 -0.9996 -5.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.9029 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -0.0651 -7.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 1.3578 -7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 2.2314 -8.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 2.8354 -8.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 2.7096 -8.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 3.9830 -7.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 4.4867 -8.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 3.8492 -9.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 3.5675 -8.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 2.8692 -9.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 3.7236 -11.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 4.9996 -10.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -1.7148 1.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 -0.8455 2.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 0.3853 2.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -1.2225 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 -0.2120 3.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 1.0711 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2996 1.0549 2.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 2.5090 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4405 2.6831 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7825 2.0889 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 2.2848 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 2.9617 -3.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7323 3.5974 -3.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8381 3.0483 -4.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 3.6420 -4.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 3.3664 -2.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 3.8887 -2.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 3.3088 -3.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 1.8108 -3.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 1.3092 -2.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 -8.7779 3.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -9.5770 3.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 -7.8288 3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 -7.5919 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -7.5828 5.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -9.9529 6.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 -10.0158 6.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -9.6798 8.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -8.2039 8.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4091 -8.7342 7.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 -7.2706 6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 -8.0896 9.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -5.7291 10.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 -4.5623 8.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 -5.5714 7.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6534 -4.6498 8.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4448 -2.2911 8.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 -2.7703 8.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1444 -1.6225 7.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5998 -1.5758 10.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 0.7524 10.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3076 -0.1534 7.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 1.2493 8.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 1.1800 7.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 3.2826 6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 2.5723 7.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 4.2351 7.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 4.0653 4.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 2.9056 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 1.8776 6.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 2.1795 5.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.0545 5.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -0.0946 5.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 -2.9624 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -1.6350 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 -0.3595 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7654 -2.0569 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -3.3802 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -3.8546 -2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -2.4721 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9732 -2.5201 -4.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -1.0185 -3.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -2.8890 -4.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 -1.4561 -3.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 -1.5766 -6.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 -0.0628 -5.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 -0.5503 -5.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7047 -1.9492 -6.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 -0.4871 -8.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 -0.0342 -7.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 1.7169 -6.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2303 1.4422 -6.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 2.3650 -8.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 3.4825 -9.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 2.0185 -7.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 2.2459 -9.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 4.5443 -7.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 5.4768 -8.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 2.9224 -9.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 4.5601 -10.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 2.8957 -8.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 4.4953 -8.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 1.8994 -10.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9751 2.6396 -9.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 3.9960 -11.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 3.2035 -11.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 5.2761 -11.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 4.7960 -9.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 5.7981 -10.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -2.1807 3.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -1.5692 2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 -0.6449 4.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 -0.0167 4.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 1.6734 4.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 1.7445 2.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 0.4941 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 0.5451 2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9869 3.0579 2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 2.9665 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 3.7637 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4189 2.1875 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 2.3388 -0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 0.9491 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5326 1.8304 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 3.0464 -3.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9136 4.7040 -3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2335 3.4751 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 1.9443 -4.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 3.2662 -5.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9411 3.2140 -4.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 4.7296 -4.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 2.2922 -2.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 3.9130 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 4.9981 -2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 3.6462 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 3.6287 -4.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 3.7151 -3.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 1.4983 -4.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 1.3401 -3.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 1.9567 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 1.0189 -2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2695 0.3185 -2.1563 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 2 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 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END