HMDB0042947 RDKit 3D TG(14:0/O-18:0/18:3(6Z,9Z,12Z)) 156155 0 0 0 0 0 0 0 0999 V2000 -6.1710 1.7237 2.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1661 2.0073 3.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 1.4931 4.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7071 1.7415 5.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 3.2385 5.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 3.3288 7.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 3.8592 7.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 4.4720 5.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 5.8717 6.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 6.4488 6.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 5.8205 5.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 6.0867 6.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 5.3797 7.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 4.0028 7.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 2.9464 6.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 2.5307 7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 1.5547 6.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 0.3039 5.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 -0.2841 6.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -0.2544 4.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -1.4263 4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.5911 2.8460 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7488 -1.8820 2.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 -0.8549 2.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 0.3728 2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 0.5107 1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 1.4565 2.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 2.6690 1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 2.3461 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 3.6383 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 3.3549 -2.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 4.5831 -3.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3386 5.3367 -2.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 6.5852 -3.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 6.3556 -5.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 5.4347 -5.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 5.3396 -7.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 4.4016 -7.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 3.0302 -7.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 -2.7089 2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -2.1981 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -3.2934 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 -2.7123 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5807 -3.6969 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5628 -4.1014 -1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -2.8663 -2.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 -2.9757 -3.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -3.8282 -4.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 -5.3044 -4.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -5.7612 -3.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -7.2347 -3.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -7.7777 -3.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -7.4411 -3.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 -6.0544 -3.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -5.9690 -3.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -6.3432 -4.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 -6.2108 -4.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -7.1208 -3.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5326 0.6764 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 1.7024 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0152 2.4174 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 1.5699 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1235 3.1289 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6246 2.0547 4.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 0.4182 4.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 1.2896 6.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 1.2087 5.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4134 3.6892 6.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 3.6321 4.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 2.9111 8.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 3.8615 7.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 4.5440 4.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 3.8902 5.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 6.4426 6.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 7.5611 6.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 4.8170 5.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 6.4304 4.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 7.2336 7.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 5.9707 8.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 3.9158 7.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 3.6512 8.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 1.9819 6.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 3.2351 5.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0796 1.9308 8.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 3.3449 7.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 1.3380 6.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 2.1090 5.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -1.3176 4.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -2.3279 4.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -0.7163 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -2.8327 2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 -2.1155 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 1.7793 3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 1.0245 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 3.2001 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 3.3730 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 1.7902 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 1.7655 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 4.2035 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 4.2076 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 2.7820 -2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 2.6858 -2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 5.2284 -3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 4.2458 -4.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 4.6034 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 5.6886 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4497 7.1458 -3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 7.2518 -3.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 6.0646 -5.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8412 7.3723 -5.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 5.8575 -5.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 4.4299 -5.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 6.3503 -7.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 5.0072 -7.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7676 4.7029 -7.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 4.3156 -8.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 2.8896 -7.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 3.0285 -6.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9963 2.2915 -7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 -1.6175 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -1.4860 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 -4.0423 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 -3.7506 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 -2.4418 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -1.7663 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4437 -3.2138 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 -4.6107 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1609 -4.7930 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -4.6593 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 -2.1315 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -2.3585 -2.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0197 -1.8952 -4.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 -3.1472 -3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 -3.5790 -5.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 -3.5636 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -5.7689 -5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -5.7835 -4.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 -5.2941 -3.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -5.4206 -4.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -7.6811 -4.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 -7.6430 -3.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8285 -8.9215 -3.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 -7.6390 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -7.6900 -4.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -8.1121 -2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 -5.7469 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -5.3162 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -4.9066 -3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 -6.5959 -2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.6679 -5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -7.3829 -5.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8088 -5.1658 -4.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -6.4666 -5.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2983 -7.1797 -4.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -8.1483 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -6.6688 -2.9206 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 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 1 0 25 26 2 0 25 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 1 0 42 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 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 6 23 91 1 0 23 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 39119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 58156 1 0 M END