HMDB0049460 RDKit 3D TG(18:1(11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z)) 169168 0 0 0 0 0 0 0 0999 V2000 6.1010 6.7800 -3.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9555 6.5026 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1843 5.0292 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0118 4.5497 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3786 4.9002 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 4.3805 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 3.4907 1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 2.9170 1.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 1.4554 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1994 0.5320 2.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 0.8804 3.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 0.2868 4.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -0.5800 5.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -0.9996 5.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -0.5473 6.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -1.2912 7.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -2.7462 7.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 -3.0227 6.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 -4.4696 6.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 -5.1699 5.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -5.9788 5.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -4.9920 4.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 -5.7501 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -5.3880 1.8413 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3356 -4.1988 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 -2.9446 1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 -1.8221 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 -2.1245 0.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.4111 1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.0004 2.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.2800 2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 0.4260 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3054 0.1777 0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 0.6728 2.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 0.4507 2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 0.9537 1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 0.4877 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6653 1.0740 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6087 0.3570 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6432 -1.1183 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6376 -1.6899 -2.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6695 -3.1854 -2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -3.7325 -4.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -3.3368 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5681 -3.9173 -6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 -5.4586 1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -6.3710 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 -7.2714 0.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -6.2606 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 -5.0890 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -3.7983 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -3.1701 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 -3.8732 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 -2.8055 -2.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -3.4072 -3.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4228 -3.2771 -4.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6568 -2.4873 -5.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 -1.4259 -6.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 -0.1596 -5.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 0.3631 -4.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.0344 -4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 2.2832 -3.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 3.2290 -3.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9654 3.7354 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0839 4.7360 -2.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 5.1380 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4071 6.1541 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 5.8597 -4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 7.5142 -4.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 7.1869 -3.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 6.9132 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 7.0112 -2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6072 4.7263 -3.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1652 4.5556 -2.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0097 5.0423 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 3.4620 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4874 6.0464 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 4.7397 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2725 4.7914 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 3.1619 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 3.2251 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 3.2605 2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1811 1.1316 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 -0.5189 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3924 0.6753 3.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 1.9865 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2088 0.5575 4.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 -0.9956 6.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 -0.7580 4.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 -2.1421 5.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 0.5414 6.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -0.8097 8.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -3.2219 8.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 -3.1425 6.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.4601 5.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -2.6384 7.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 -4.5405 6.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -4.9876 7.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 -5.6622 3.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 -6.8242 3.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -6.2748 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -4.2703 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -4.2771 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 0.0339 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 0.1431 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 -0.4289 3.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 1.1143 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 -1.3435 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 0.2030 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 1.5262 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3131 0.0946 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -0.8329 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 0.8314 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 0.1326 3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 1.7806 2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 -0.7042 2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 0.6963 3.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 2.1023 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5269 0.6940 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 0.9959 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 -0.5652 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6897 2.1617 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4531 0.8573 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8935 -1.5915 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6830 -1.3909 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5618 -1.3400 -3.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7847 -1.2444 -3.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7992 -3.6318 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -3.5380 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6171 -3.4684 -4.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6900 -4.8576 -3.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 -3.7717 -4.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 -2.2227 -4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 -4.1318 -6.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2327 -4.7776 -6.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9885 -3.1224 -6.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -7.1737 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 -6.3777 -0.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3071 -5.3225 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 -5.0858 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -3.6485 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 -3.0473 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -2.7430 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 -2.2156 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -4.2669 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -4.6438 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 -2.0705 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 -2.2525 -2.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 -4.0034 -3.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.7612 -5.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 -2.2278 -4.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2788 -3.2280 -5.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 -1.7168 -7.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 0.5990 -6.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.3931 -3.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 1.1008 -4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 0.3650 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 2.6290 -3.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 2.8691 -4.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 4.1327 -4.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 4.1592 -2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 2.8110 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 5.6620 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 4.3703 -2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 4.2287 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 5.5730 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 5.9494 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0162 7.1779 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8909 6.1344 0.1270 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 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 2 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 2 0 47 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END