HMDB0048109 RDKit 3D TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -1.6900 -9.1351 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -7.7465 2.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -7.8974 3.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8463 -7.2108 2.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -6.2409 1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -6.7231 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -5.9808 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4036 -4.5952 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -4.6214 2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -3.9074 1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 -3.0082 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 -3.4624 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 -2.6819 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 -1.2883 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8829 -0.4593 -1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -0.5262 -2.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 -0.0010 -1.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -0.1456 -2.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.2559 -2.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5783 0.9926 -2.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4527 0.8709 -3.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 2.2488 -4.2399 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5058 3.1276 -3.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3037 3.3842 -2.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 3.9293 -1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 4.3369 -2.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 4.0551 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 3.5462 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7152 2.1134 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.7005 1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 0.2407 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 -0.3765 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -1.8709 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -2.1117 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -2.7149 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2893 -3.2354 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -2.6230 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.1457 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 -0.3642 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 2.1102 -5.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 1.9977 -5.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 2.3917 -7.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 1.5009 -5.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 2.6872 -5.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 2.2740 -5.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5799 3.5103 -4.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 3.0569 -4.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 3.3804 -3.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 4.2566 -2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1555 5.5206 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2865 5.9383 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7899 5.2402 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8951 4.9168 1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9451 5.3638 2.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 6.2296 3.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3721 5.5742 4.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 4.2767 4.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 4.3367 3.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 2.9535 3.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 -9.0985 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -9.8697 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6967 -9.5089 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3657 -7.0713 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -7.5423 2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -8.5994 3.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -7.3253 3.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 -5.2630 2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 -6.1380 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 -7.7314 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -6.3475 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 -3.9893 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 -4.2185 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -5.2742 2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -3.9197 2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 -2.0170 1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7226 -2.7100 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 -4.5156 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3988 -3.1451 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2952 -0.7901 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9689 -1.1848 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -0.9095 -2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1988 0.5725 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -1.5563 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 0.0993 -3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 -0.4571 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 1.0993 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 0.2868 -4.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 0.3428 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 2.7694 -4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0475 4.0236 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 2.6066 -2.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 3.5103 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1812 5.1399 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 4.1600 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 3.7798 1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 1.5391 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 1.7414 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.8012 2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 2.3362 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 0.0911 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -0.3008 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -0.3529 2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 0.1004 1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 -2.2556 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 -2.2757 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -1.7538 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1638 -2.8575 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3937 -4.3479 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -3.1055 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -3.0233 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -2.8821 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4975 -0.8250 1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 -0.8471 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 0.0713 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -0.9011 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 0.5454 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 0.9304 -6.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 0.8312 -4.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 3.2914 -4.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 3.2744 -6.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 1.7228 -5.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 1.6378 -4.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8111 3.8775 -5.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0661 4.3108 -4.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5036 2.4286 -4.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 3.0457 -2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4497 4.3237 -2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4448 3.6378 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5629 6.1495 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8117 6.8980 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 4.3337 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 5.9733 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6793 4.2650 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8238 5.0588 3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 7.1626 3.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 6.5094 2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1818 5.4181 5.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 6.2925 5.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3235 3.8715 5.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 3.5012 4.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 5.0452 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7538 4.6626 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5153 2.2721 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 2.4781 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 3.0166 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 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 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 39116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M END