HMDB0049556 RDKit 3D TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -6.4086 0.8405 9.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6373 0.1360 7.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 1.0636 6.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 1.5192 6.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 1.0914 6.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 0.4286 5.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 0.8508 5.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 2.0244 5.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 3.0723 4.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 3.4889 4.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 2.9907 5.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 2.3774 4.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 3.4126 3.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.7974 2.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 1.6827 1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 2.0799 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1613 0.8449 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 1.2176 -1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.8611 -1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 1.9890 -2.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 2.4918 -3.7943 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4530 2.3829 -4.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 1.1000 -5.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 0.0383 -4.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.1634 -3.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -1.2653 -5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 -2.4111 -4.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 -2.5321 -3.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -2.7939 -4.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 -2.8947 -3.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 -3.1630 -4.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 -3.2232 -3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -3.4788 -3.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -2.6977 -3.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8785 -1.4182 -3.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 -0.2212 -4.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.1292 -5.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.4055 -4.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 0.8052 -6.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -0.1406 -7.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 0.3730 -8.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 0.6372 -7.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 4.0055 -3.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 4.0293 -2.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 5.1357 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 6.2645 -2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 4.9184 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 3.5461 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 3.3535 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 2.0312 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 1.8642 1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 0.5939 2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -0.6482 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -1.8253 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -3.1176 1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -4.2936 2.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 -5.1057 2.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -4.9831 2.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -6.1890 1.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -7.4749 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -7.7075 3.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -7.7236 3.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -6.4810 2.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 0.9918 8.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0042 1.8472 9.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 0.1715 9.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -0.4314 8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -0.6556 7.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4316 1.4296 6.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3836 2.2073 5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 0.4034 7.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 1.9427 7.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8682 -0.4664 5.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 0.2521 4.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 1.6122 6.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 2.5385 6.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 3.5124 4.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 4.2770 3.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 3.9512 5.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 2.4118 6.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 1.5173 3.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 2.0355 4.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 3.8826 2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1596 4.2492 3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2805 3.5609 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 2.3877 3.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 0.8192 2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 1.3193 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.8695 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 2.4297 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 0.4607 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 0.0614 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 2.0864 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3988 2.9716 -4.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 2.9080 -5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3288 -1.1866 -5.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 -1.4657 -6.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -3.3240 -4.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 -2.1715 -3.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 -3.4227 -2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.6592 -2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -3.7341 -4.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9488 -1.9998 -5.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8017 -1.9407 -2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -3.7021 -2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -4.1946 -4.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -2.4062 -5.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -2.4077 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -4.1666 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 -4.4153 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 -2.9972 -4.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -1.2365 -2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 -1.5229 -2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 -0.3728 -4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 0.6413 -3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 1.0725 -5.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 -0.6247 -5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 1.2859 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.4046 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 1.0434 -5.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 1.7921 -6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 -0.2152 -7.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -1.1538 -7.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 1.3283 -8.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 -0.3364 -9.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 0.4638 -8.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 1.6937 -7.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -0.0702 -7.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0422 4.5635 -3.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 4.3957 -4.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 4.9596 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 5.7191 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 3.4738 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 2.7988 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 3.3740 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 4.1447 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 2.0066 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 1.2029 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2438 1.8470 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 2.7131 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 0.6949 2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 0.4868 2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -0.6991 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -0.5758 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -1.6644 3.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3862 -1.8268 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 -2.9604 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 -3.1359 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -4.5305 2.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -5.9810 3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 -4.7887 3.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 -4.1186 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 -5.9164 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0565 -6.2661 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0109 -8.2630 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 -7.7936 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 -8.7369 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -7.0115 4.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -8.6017 2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 -7.9306 4.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 -6.6192 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 -6.3846 3.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -5.5847 2.7707 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 1 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 24 25 2 0 24 26 1 0 26 27 1 0 27 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 2 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 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END