HMDB0043415 RDKit 3D TG(15:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) 164163 0 0 0 0 0 0 0 0999 V2000 -4.2577 2.5971 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5317 2.7568 -2.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 1.5034 -2.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8784 0.7545 -1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0004 0.1549 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9098 -0.4806 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0619 -0.2253 1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3796 0.7702 2.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 1.6604 2.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1272 1.6214 2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6098 0.6526 3.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 1.5030 4.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 1.3472 4.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 0.2627 4.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -0.5722 5.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -0.8294 5.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 -0.3972 5.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 -1.6941 5.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 -1.5596 4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5265 -2.9854 4.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -3.1112 3.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 -2.7899 2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 -2.8297 1.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 -2.4544 1.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -2.1627 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 -0.9711 -0.2989 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1911 0.1721 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8108 0.2147 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 1.1120 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 1.9103 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 1.0921 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 -0.2688 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -0.5121 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -1.9251 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.9874 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 -2.9784 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -4.0276 -1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -5.4095 -1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 -6.4328 -2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -6.7005 -3.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 -7.4163 -3.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 -6.9398 -2.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 -5.6250 -3.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 -5.2603 -2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6596 -0.7478 -1.6606 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6329 -0.8162 -2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8024 -1.1128 -2.2983 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2842 -0.5310 -4.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 0.5977 -4.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 0.9041 -5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 2.0544 -5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 1.7539 -4.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 2.9391 -4.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 2.6967 -3.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3985 3.8526 -3.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 4.6566 -2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 4.4403 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 4.1876 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 4.9446 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 6.1277 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 5.9020 2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 7.1259 2.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 6.7770 3.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 7.8475 4.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 3.3342 -1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 1.5897 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 2.8454 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1881 3.4537 -1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 3.3571 -3.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1786 1.7979 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6731 0.8056 -3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5573 -0.0540 -1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 1.4450 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2515 0.8167 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4538 -0.7049 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5357 -1.2971 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8427 -0.8796 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2421 1.5087 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1254 0.3712 3.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 2.4440 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 2.2774 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3506 0.0067 3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 0.0237 2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 2.2986 4.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 1.9819 5.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 0.6952 4.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3607 -0.4213 3.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4388 -0.9498 6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 -1.4530 6.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.2476 5.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.1132 4.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 -2.2802 4.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -2.2414 5.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -1.1399 3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -0.9888 4.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 -3.4482 5.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -3.5876 3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 -2.5279 4.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -4.1962 3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 -1.8719 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 -3.0119 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 -1.1736 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 1.1296 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 -0.0357 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 1.9152 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 1.2324 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 -0.4235 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 -1.0433 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 0.1503 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -0.4344 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7665 -2.1563 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.9167 2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -3.9654 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 -2.9585 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 -2.0050 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -3.1820 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 -4.0409 -2.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 -3.8570 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -5.4189 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 -5.5977 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9638 -6.1525 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -7.3928 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0662 -7.3205 -3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -5.7100 -3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -7.7433 -4.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -8.4817 -2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -7.0450 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -7.6912 -3.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -5.7143 -4.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -4.8423 -3.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -6.1696 -2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 -4.5656 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7162 -4.7091 -3.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 -1.4087 -4.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 -0.2862 -4.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 1.4993 -3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4596 0.4276 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 0.0478 -6.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 1.2977 -6.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 2.2602 -6.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 2.9735 -5.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 0.8488 -4.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 1.5959 -3.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 3.8791 -4.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 3.0353 -5.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 2.3417 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 1.8302 -4.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 4.0806 -4.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 5.5036 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 5.4512 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 3.6719 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 3.3279 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 4.6898 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 6.4679 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0225 7.0083 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 5.0661 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 5.7173 3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 7.9843 2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 7.2093 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 5.8207 3.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 6.7532 4.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 7.8437 5.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 8.8677 4.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 7.6814 4.0911 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 1 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 26 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 44133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 64164 1 0 M END