HMDB0045460 RDKit 3D TG(18:0/O-18:0/20:3(5Z,8Z,11Z)) 174173 0 0 0 0 0 0 0 0999 V2000 -6.9666 -6.6347 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6951 -5.8472 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 -5.3822 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 -6.5452 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -6.3425 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -5.7291 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -4.3861 2.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -3.1830 1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -3.0041 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 -2.1266 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -1.0369 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 -0.9096 2.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3765 0.1080 2.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 1.3919 2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0973 1.9314 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 2.3056 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 2.2419 0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 1.4661 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 0.0453 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -0.5578 -1.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2785 -1.6433 -2.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 -0.0018 -2.2542 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 -0.1831 -3.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 -1.4039 -3.4634 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9118 -2.4309 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 -2.0243 -5.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.4218 -5.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 -1.0709 -5.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -1.1422 -7.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 -0.6502 -7.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.6099 -7.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 1.8239 -7.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6434 3.0012 -6.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 4.2478 -6.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 5.4560 -6.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 5.3437 -4.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 6.6113 -4.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 6.5819 -2.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 7.7534 -2.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 8.0578 -2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5829 7.1159 -2.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 5.8226 -3.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8036 5.0044 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9255 4.6942 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1843 3.8664 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -2.0166 -2.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -1.7465 -2.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 -2.4858 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 -2.5648 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2634 -1.3179 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2791 -1.7887 2.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1409 -0.6807 3.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 -1.2680 4.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 -0.1045 5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -0.4496 6.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 0.5999 7.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 0.8884 8.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 1.2151 6.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 1.5593 7.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 1.8261 6.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6351 2.9725 5.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 3.2203 4.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 4.3712 3.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 3.9305 2.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7585 -7.7192 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3179 -6.2224 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0266 -6.4883 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8262 -6.5213 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3127 -4.9244 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -4.8157 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1419 -4.7894 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -7.0597 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 -7.3688 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5324 -6.0018 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4163 -7.4335 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -6.4369 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -5.8837 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -4.3147 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 -4.3087 3.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 -3.3444 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9903 -2.2944 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -3.7416 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -2.2069 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 -1.1331 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 -0.0703 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 -1.8015 2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -0.0422 3.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 1.6378 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 2.1815 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1066 2.1146 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 2.7135 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2835 3.3232 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 1.9284 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 1.5100 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 1.9974 -1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -0.0287 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.5451 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 0.6243 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 0.2410 -4.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -1.0041 -4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 -3.1214 -4.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -3.1840 -3.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -2.1572 -7.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7954 -0.5249 -7.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -1.4536 -7.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 -0.5857 -8.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 0.8583 -7.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0151 0.5452 -6.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 1.6944 -6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 2.0118 -8.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 3.1778 -7.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 2.7558 -5.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 4.1479 -6.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 4.4675 -8.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 5.7018 -6.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 6.3342 -6.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 5.2941 -4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 4.4648 -4.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 7.5051 -4.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 6.7023 -4.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 6.6593 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 5.6433 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 7.6301 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 8.6575 -2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 8.4180 -3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 9.0683 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5798 7.6143 -2.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7121 6.9262 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5586 6.0113 -4.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7025 5.1555 -3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7211 4.0524 -3.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6438 5.6299 -3.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1214 5.6407 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 4.2468 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2740 3.6486 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1403 2.8894 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0243 4.4312 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 -1.9329 -3.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -0.6236 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 -3.5662 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 -2.1940 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4021 -3.1660 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -3.1836 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 -0.8201 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 -0.6677 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 -2.5858 2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2941 -2.2538 2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 -0.2403 3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9269 0.0908 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 -2.0784 4.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -1.6422 4.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 0.5151 5.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9123 0.5948 5.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2407 -0.6422 7.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 -1.4516 7.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 0.3866 8.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2368 1.5831 7.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.0717 8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 1.7652 8.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 2.0807 6.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 0.3173 6.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 2.4471 7.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 0.6577 7.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.9213 5.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 2.0700 6.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 3.8808 5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6724 2.7676 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 3.3237 4.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8121 2.3021 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7347 4.5067 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 5.3057 3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 4.2602 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 2.8181 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 4.4132 3.5897 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 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 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 44 45 1 0 24 46 1 0 46 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 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 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 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 0 23 99 1 0 24100 1 6 25101 1 0 25102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 45137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 61167 1 0 62168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 64173 1 0 64174 1 0 M END