HMDB0064397 RDKit 3D TG(20:0/10:0/13:0) 140139 0 0 0 0 0 0 0 0999 V2000 1.7623 -5.5398 -4.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -5.6317 -5.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 -4.6863 -6.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 -4.8468 -7.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 -3.8895 -8.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 -2.4419 -8.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 -1.9788 -7.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 -0.5541 -6.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -0.1403 -6.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 1.2992 -5.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 2.0666 -5.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 1.6698 -3.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 0.4448 -3.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 0.1549 -2.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -1.0809 -2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -1.3149 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 -2.4816 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -2.3703 -1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -1.2032 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1293 -1.2500 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7103 -0.3056 1.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 -2.2721 1.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -2.5483 2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 -1.7464 3.5577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6892 -0.2510 3.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 0.1904 4.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 1.5670 4.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 2.3031 3.7905 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 2.0659 5.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 3.5172 4.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4911 4.1201 3.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3604 4.0358 2.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 4.8809 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 4.9033 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 5.7602 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 5.7695 -2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 6.5635 -3.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 6.2913 -4.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 6.4430 -3.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 7.8434 -2.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 -2.1067 4.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -2.4474 5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -2.3813 5.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 -2.8367 7.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -2.7131 7.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -3.5151 7.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 -3.5023 8.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -2.2431 8.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -1.3067 9.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 -0.0447 9.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 0.7192 8.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 1.9718 8.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4821 -6.4115 -4.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -4.5895 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -5.6353 -3.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 -5.4710 -5.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 -6.6729 -6.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -4.8422 -7.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -3.6571 -6.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -5.8757 -7.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 -4.8370 -6.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -4.1531 -9.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 -4.1067 -9.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -1.8817 -9.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -2.2241 -7.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -2.1398 -7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -2.5963 -6.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 -0.2774 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 0.1402 -7.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -0.3055 -6.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.6966 -5.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 1.8485 -6.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 1.4119 -5.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5577 3.1382 -5.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 2.1824 -5.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 2.5238 -3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.6736 -3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -0.4334 -4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 0.6680 -4.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 1.0456 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.0111 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -0.8676 -3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 -1.9057 -2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -1.5392 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3297 -0.3557 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -3.3691 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -2.8200 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1904 -2.3896 -2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7439 -3.2985 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0289 -1.3613 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6721 -0.2217 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6561 -2.3724 3.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4884 -3.6510 3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -1.9646 3.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 0.0447 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 0.2214 3.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 1.7167 6.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 1.5180 4.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 4.0976 5.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 3.8109 5.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3283 5.2332 3.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 3.7185 3.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 3.0233 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 4.5218 2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 4.3234 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 5.8637 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 3.8848 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 5.4378 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 5.1670 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 6.7675 -0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 4.7050 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 6.1381 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 7.6717 -3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 6.4148 -4.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 5.1922 -4.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 6.8135 -5.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 5.6947 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 6.3504 -4.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 8.2048 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 8.5565 -3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 7.8038 -2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 -3.9455 7.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4587 -2.3383 7.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.8086 8.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 -1.6171 7.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5386 -4.5685 7.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -3.1479 6.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7999 -4.0264 9.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -4.2367 7.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -1.6948 7.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -2.4913 9.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -1.8186 10.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.0461 9.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 0.5879 10.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.3097 10.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 0.0814 7.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 0.9479 7.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 2.5540 7.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 1.6715 9.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 2.5816 9.6493 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 1 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 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 24 41 1 0 41 42 1 0 42 43 2 0 42 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 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 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 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 40119 1 0 40120 1 0 40121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 M END