HMDB0049770 RDKit 3D TG(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -5.9675 5.2080 3.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 5.3866 4.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 4.0450 5.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 4.1239 6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 5.0041 5.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 4.9802 6.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 4.5496 6.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 4.0266 5.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 2.6216 5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 2.1457 5.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 3.0149 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 3.1746 5.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8964 2.8346 5.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 2.2463 3.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 0.9311 4.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 -0.1799 3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 -0.2415 2.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6519 -0.7135 1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -2.1173 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.4463 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5162 -2.3966 -0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3157 -2.8003 -0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 -3.1132 -2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -3.3684 -2.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4007 -4.6059 -1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.5116 -0.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 -5.5343 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 -6.4837 -0.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -5.6112 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -5.4521 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 -4.1766 2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 -3.7143 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 -4.6564 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9384 -4.2279 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -2.8458 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2436 -2.5587 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 -2.2635 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -2.1764 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6067 -3.0972 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 -4.5407 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6005 -5.0750 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 -4.8622 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 -5.5851 1.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4669 -5.3393 3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -5.8311 4.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 -3.6042 -4.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 -2.7895 -4.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 -1.9039 -4.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -3.0080 -6.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 -2.0211 -6.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -0.6217 -6.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 0.4042 -7.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 1.7338 -7.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 2.8782 -7.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 2.7994 -7.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 3.9962 -7.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 5.2329 -6.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 5.0967 -5.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 6.2828 -4.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 6.0865 -3.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 4.8488 -2.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 4.7235 -1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 3.4603 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 3.3592 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 2.1036 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7181 6.0357 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5684 5.1692 2.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 4.2690 4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0889 6.1092 4.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2212 5.8547 5.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 3.4485 5.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 3.4883 4.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3779 4.5638 7.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 3.1149 6.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 6.0820 5.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 4.7604 4.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 5.3448 7.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 4.5516 7.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 3.9790 4.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 4.6880 4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 1.8960 5.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 1.0912 5.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 3.9717 4.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 2.5567 3.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5062 3.5973 6.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7055 2.9854 5.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 2.9345 3.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 2.3303 3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8893 0.9485 4.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 -1.0796 3.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 0.6301 2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 -1.0681 3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 -0.7221 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -0.0575 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -2.8400 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 -2.1547 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 -2.3123 -2.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 -4.0381 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -2.4761 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -5.4823 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2877 -4.5936 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -6.6453 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -4.8781 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 -6.3499 2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 -5.5668 3.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -3.3770 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -4.1266 3.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -2.7005 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -3.4712 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -5.6489 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -4.6784 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.2035 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -4.9517 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -2.8320 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 -2.1059 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 -2.5971 -2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 -2.0581 -2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8116 -1.0993 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 -2.2360 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3261 -2.7846 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1591 -2.8463 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7037 -4.7636 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 -5.1186 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -4.7122 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 -6.1785 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8296 -5.3142 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 -3.8254 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5719 -6.6717 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -5.1486 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4563 -5.8334 3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 -4.2524 3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0884 -5.0192 4.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4512 -6.0656 5.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1541 -6.7528 4.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 -2.9895 -6.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -4.0207 -6.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 -2.1523 -6.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -2.2921 -7.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -0.4343 -7.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.3248 -5.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 0.2599 -7.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 0.2277 -8.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 1.8259 -5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 1.7356 -7.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 3.8110 -7.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 2.8584 -8.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 1.8771 -7.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 2.5694 -6.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 3.8691 -6.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 4.1672 -8.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 5.4369 -7.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 6.0992 -7.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 4.1553 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 5.0467 -4.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 7.1681 -4.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 6.5030 -5.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 6.9494 -2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0061 6.1377 -2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 3.9043 -3.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 4.8799 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 5.5854 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 4.7227 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 3.4597 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 2.6076 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 4.2141 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 3.2561 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 2.1443 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 1.9585 2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 1.2377 0.6191 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 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 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 1 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 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 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 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 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 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 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END