HMDB0049058 RDKit 3D TG(16:1(9Z)/O-18:0/18:2(9Z,12Z)) 162161 0 0 0 0 0 0 0 0999 V2000 -0.7458 -7.0007 -4.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 -6.1048 -4.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -6.3657 -3.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -5.5621 -2.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 -5.9066 -1.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1273 -5.5492 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -4.6940 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -3.9839 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -2.5273 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 -1.7109 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 -2.0487 2.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -1.7584 3.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -0.4059 4.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 0.5051 3.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 0.2317 3.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 -0.8816 2.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -1.1336 1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 -0.0410 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 1.1409 1.2615 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -0.1036 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 1.0847 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 0.9099 -1.3309 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6040 0.1895 -2.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 0.7117 -3.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2123 0.8066 -3.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 0.2614 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 1.4650 -3.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 1.8472 -5.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 2.5692 -5.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 2.9675 -7.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 2.0171 -8.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8924 0.9363 -8.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 -0.1478 -7.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 -1.1069 -8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -1.3539 -7.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -0.6640 -6.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.1340 -6.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 -0.7590 -6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -1.7156 -5.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 -1.1869 -4.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -0.3426 -3.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4113 2.2493 -1.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7352 2.5304 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8602 4.0820 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8745 4.6498 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 4.3374 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 4.7310 1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6902 4.5898 3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 4.8205 4.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9093 4.9009 5.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 3.7488 6.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0334 4.0395 7.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 3.9990 8.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 2.6869 9.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 1.6102 8.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 0.4247 9.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 -0.8149 8.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 -0.8466 7.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -2.2784 6.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -2.3225 5.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -6.7833 -3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -6.8387 -5.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -8.0474 -4.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1632 -5.0708 -4.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 -6.3744 -5.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -7.4416 -2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -6.1347 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 -4.4748 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -5.8463 -3.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 -5.6169 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0835 -7.0523 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 -6.0468 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -4.4830 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -4.2248 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 -4.3228 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.1791 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -0.6380 1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 -3.0847 2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 -1.4307 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.5309 4.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2318 -2.1061 4.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -0.4168 5.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 0.1520 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 0.9806 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 1.4619 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3443 1.1936 2.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 -0.0365 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 -1.8275 2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -0.7352 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4185 -1.3718 2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 -2.0970 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 1.7948 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 1.7175 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 0.4290 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4527 -0.0450 -3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 -0.8560 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 0.7488 -4.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 2.3381 -3.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 0.9568 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 2.5310 -5.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 2.0892 -5.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 3.5939 -5.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 3.8532 -7.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 3.5039 -7.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 2.6554 -9.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 1.5406 -8.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 0.4618 -9.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 1.3439 -9.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 0.2536 -6.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -0.7195 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -1.6535 -9.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -2.1003 -7.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 -1.4392 -5.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 0.0026 -5.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 0.8077 -5.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 0.8104 -7.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -0.1482 -6.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7325 -1.3523 -7.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 -2.5084 -5.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3508 -2.4005 -5.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -2.0679 -3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6492 -0.5689 -4.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 0.7464 -3.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 -0.5844 -3.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 -0.5504 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 2.1628 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 2.1398 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4929 4.3287 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8439 4.4360 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 4.3000 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 5.7455 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2373 4.8822 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 3.2658 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 4.0025 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 5.7283 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 3.6067 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4271 5.3910 3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 3.9718 4.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 5.7102 3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9643 4.9367 6.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 5.8508 5.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7096 3.7350 5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1591 2.8421 6.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 3.3470 8.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 5.0547 7.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 4.6076 8.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 4.5748 9.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 2.2934 9.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 2.9035 9.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 1.2475 7.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 1.8583 7.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 0.3017 9.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 0.7726 9.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 -1.2757 7.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -1.5971 9.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.2004 6.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -0.5271 7.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 -2.9038 7.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -2.5744 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 -1.5748 5.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -3.3298 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 -2.2425 4.7602 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 1 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 39 40 1 0 40 41 1 0 22 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 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 21 93 1 0 22 94 1 1 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 41125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 60162 1 0 M END