HMDB0048072 RDKit 3D TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) 153152 0 0 0 0 0 0 0 0999 V2000 2.0500 0.8251 -4.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 1.7372 -4.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 2.7525 -5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 3.6786 -5.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 4.6523 -6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 4.7940 -6.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 3.9555 -6.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 3.1151 -7.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.3166 -6.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 1.3989 -7.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7729 0.6305 -6.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7671 1.4959 -5.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6734 0.6098 -5.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9136 -0.1574 -4.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4504 -1.2701 -4.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 0.2670 -2.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 -0.3755 -1.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -0.6232 -2.1831 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9170 0.8057 -2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 1.2691 -0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 2.4257 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 3.1801 -1.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 2.6845 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 2.5874 2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.3049 2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 0.8766 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 1.7350 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.9422 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 2.4594 2.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 2.7139 3.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 3.8588 3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 5.0782 3.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 6.2290 3.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 6.0561 1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 5.8421 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 5.6797 -0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 6.8993 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 6.7308 -2.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 5.5671 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -1.2315 -1.1738 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -2.4023 -1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -3.0372 -2.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 -2.9215 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 -4.2762 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 -4.6037 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 -4.5407 2.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -5.5201 2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -5.3131 3.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -5.4581 4.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -6.7929 4.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -7.5991 5.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3613 -7.3454 7.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6331 -7.2360 8.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 -7.2792 8.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -7.4607 7.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -6.2511 7.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 -6.5763 6.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 -5.5259 6.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8329 -6.0381 5.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 1.0476 -3.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 -0.2437 -4.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 1.0181 -4.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 2.2028 -4.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 1.0890 -5.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 3.3381 -6.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 2.1774 -6.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 3.0286 -4.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 4.1992 -4.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 5.3045 -6.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 5.5452 -7.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 4.6787 -5.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0359 3.2840 -5.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 2.4412 -7.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 3.7873 -8.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6182 3.0455 -6.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 1.6994 -5.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 1.9935 -8.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 0.7247 -8.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 -0.1492 -7.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 0.1259 -5.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3917 2.0300 -6.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 2.2715 -5.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2007 -0.1154 -5.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4412 1.2134 -4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 0.3716 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -1.2926 -1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5315 -1.1185 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 0.6613 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 1.3260 -2.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 2.0374 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 3.7284 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 2.8260 3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 3.4575 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 1.1859 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 0.5086 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -0.0905 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 0.4529 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.7607 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 1.2740 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 1.0406 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 2.7306 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 3.2834 2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.6099 3.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.8282 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 3.8773 4.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 5.0085 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 5.3763 4.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 7.1725 3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2952 6.4203 3.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 7.0221 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 5.2786 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 6.7096 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 4.9355 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 5.5585 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 4.7786 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 7.7763 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 7.1729 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 6.5387 -3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 7.6543 -3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 5.6821 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 5.5852 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 4.6217 -2.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 -2.8706 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3926 -2.1979 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 -5.0828 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -4.3061 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -3.9459 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -5.6308 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 -3.5351 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -4.8419 2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -5.3594 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -6.5759 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -5.9501 3.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 -4.2369 3.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -5.2361 5.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 -4.6408 4.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 -7.1156 3.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -8.5895 5.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -6.5226 7.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -8.2640 7.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -7.0799 9.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 -7.1645 9.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -7.5061 6.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -8.3213 8.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -5.3146 7.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 -6.1525 8.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 -6.7795 5.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 -7.5164 7.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 -5.2796 7.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 -4.5931 6.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 -6.3446 4.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -5.2744 5.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2704 -6.9700 6.0192 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 21 23 1 0 23 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 1 0 30 31 2 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 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 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 17 85 1 0 17 86 1 0 18 87 1 6 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 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 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 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 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 59153 1 0 M END