HMDB0042374 RDKit 3D TG(14:0/18:1(9Z)/22:1(13Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -6.8218 -2.0545 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3758 -1.9012 -1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3929 -0.8988 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 -0.6200 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -1.8846 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -1.7038 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -3.0250 2.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -3.0561 2.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -2.1912 3.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4962 -1.1645 4.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 -0.7272 3.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 0.6575 2.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 1.4087 1.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 0.9524 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 1.9821 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 1.6288 -1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 0.3579 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 0.1507 -3.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 1.2470 -4.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 0.9573 -5.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 2.1205 -6.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 3.3810 -6.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 4.4366 -6.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 3.4166 -5.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 4.6959 -5.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 4.6249 -4.7307 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9093 5.9144 -3.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 6.1609 -3.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 7.1380 -2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 7.8679 -1.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 7.3227 -1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9705 8.0837 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 7.4167 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 6.1118 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 5.3593 2.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 6.1645 3.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 5.3854 4.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 4.1815 4.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 3.4706 5.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 2.2628 5.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 1.4975 7.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1963 2.3918 8.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 1.6059 9.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 3.5017 -3.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 2.5528 -4.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 2.7894 -5.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 1.3224 -3.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.6658 -3.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 -0.6363 -3.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7423 -1.6401 -3.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 -2.9708 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -3.6577 -3.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -4.9730 -2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4555 -5.7701 -2.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3187 -6.1305 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 -5.7425 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 -6.9480 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 -7.8754 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 -7.1841 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6311 -8.0889 1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4422 -9.3079 1.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6989 -10.1636 1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9578 -10.6030 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0767 -1.2945 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5077 -2.0392 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9314 -3.0511 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0803 -2.9002 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 -1.5268 -2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -1.1926 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7999 0.0764 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 0.1016 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 -0.1040 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -2.6455 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 -2.2927 1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -1.3812 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 -0.9097 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 -3.3884 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -3.8114 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 -3.0188 2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -4.1241 3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -2.4474 4.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -0.6106 5.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -1.4701 2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -0.7307 3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 0.7085 2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2257 1.2548 3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0773 1.6605 2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 2.4413 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3225 0.8570 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.0008 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 2.1722 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 2.9680 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 1.5780 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9184 2.4480 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 0.4101 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -0.5312 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 0.0649 -3.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 -0.8575 -3.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 1.3299 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 2.2321 -3.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 0.0389 -5.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 0.8850 -5.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 1.9960 -7.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 2.2132 -6.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 5.0609 -4.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 5.3676 -6.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 4.5235 -5.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 5.8240 -3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 6.7123 -4.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 7.8798 -2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 6.3439 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 9.0527 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 8.3488 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6497 8.1111 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 7.2000 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 6.3388 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 5.4740 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 5.0177 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 4.4378 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 6.4957 3.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 7.0369 3.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 5.1215 4.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 6.0645 5.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 3.4737 3.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0463 4.5385 4.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 4.1582 6.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 3.1574 6.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 2.5984 5.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 1.5823 5.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 0.6666 7.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 1.1081 7.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 3.2195 8.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 2.7359 8.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 0.6380 9.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6746 2.1460 10.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2202 1.3156 9.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4019 1.4847 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 0.6671 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 0.4209 -4.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 1.3533 -3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 -0.4708 -2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -0.9950 -3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 -1.8051 -4.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 -1.2500 -3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 -3.6753 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 -2.9089 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 -3.0853 -2.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -3.9139 -4.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -5.5685 -2.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -4.8372 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 -6.1230 -3.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -6.7392 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -5.0973 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 -5.1357 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -6.6289 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 -7.5378 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 -8.2437 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9919 -8.7540 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6257 -6.3157 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2681 -6.8174 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -7.5235 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9026 -8.4036 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5459 -9.8823 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4279 -8.9383 3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5437 -11.0726 2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5738 -9.6318 2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4163 -9.7350 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9865 -10.7896 -0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6433 -11.4816 0.3988 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 1 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 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 26 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 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END