HMDB0048476 RDKit 3D TG(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -5.9375 5.3120 -1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4937 6.1791 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7496 7.1947 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 7.6319 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 7.1736 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0882 8.3834 -1.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 8.5112 -2.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6341 7.4642 -3.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 7.1690 -4.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 6.0154 -5.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 4.8242 -4.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 3.7698 -5.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 2.5863 -5.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 2.2025 -4.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 1.7323 -5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 0.5502 -5.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -0.3965 -4.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.7569 -3.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4008 -1.5552 -4.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -1.7949 -3.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -2.7254 -4.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -4.0776 -4.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -4.7071 -5.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 -4.6058 -3.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -5.8536 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -6.0918 -2.1694 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4963 -7.4600 -2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 -7.7151 -0.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 -8.8769 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -9.7120 -1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -9.1248 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 -8.4491 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -8.8125 2.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -8.3531 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -6.8507 3.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 -6.2095 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 -4.6962 4.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 -4.1231 5.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -3.2716 4.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -2.6853 3.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -1.1630 3.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 -0.5758 4.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.9161 4.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0652 1.5098 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 1.0620 2.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 -5.1616 -1.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -4.3402 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -4.4588 0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -3.3902 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -2.5401 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 -1.6921 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7785 -0.8400 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 0.0253 2.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.8530 3.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 1.7760 3.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 2.7985 2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 3.8650 2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 3.5633 2.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.8566 2.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 5.7754 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 5.1746 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 4.7744 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 4.1958 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 4.6224 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7797 4.5542 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 5.8844 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9092 5.4558 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5092 6.5909 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 7.7562 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2298 8.4807 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 6.3356 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 6.9114 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 9.2371 -1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 9.4606 -3.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 7.9286 -4.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9553 6.5535 -3.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 7.9807 -5.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1498 5.8845 -5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 5.0046 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 4.5619 -3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 4.0187 -5.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 1.8372 -5.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 3.0892 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3682 1.4521 -3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 2.4169 -6.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 0.2231 -6.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 -0.0522 -3.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -1.3871 -4.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 0.1890 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 -1.3367 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.5660 -4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -1.0629 -5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -2.2730 -2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 -0.8041 -3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 -2.8618 -4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -2.3536 -5.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -6.6859 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 -5.9186 -4.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1089 -6.1364 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -7.4116 -2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -8.2588 -2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 -10.2310 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -8.7445 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -7.3655 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -8.7539 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 -8.3823 3.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -9.9126 2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3366 -8.6397 4.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 -8.8229 3.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2822 -6.3926 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0028 -6.6309 4.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -6.5990 5.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -6.3986 3.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -4.4798 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 -4.2710 3.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -4.4580 6.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 -2.9447 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 -2.9434 3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 -3.0663 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -0.9358 3.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9344 -0.8166 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 -1.0090 3.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 -0.9999 5.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 1.2369 4.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7626 1.2319 5.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 2.6309 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 1.1735 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1334 0.5301 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 1.9696 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9602 0.4629 3.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -3.9837 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 -2.7385 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.9124 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -3.1749 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -1.0679 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -2.3596 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -0.1201 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 -1.4161 2.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -0.5871 2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 0.7019 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 0.0882 4.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 1.2290 3.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 1.1372 3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 2.2729 4.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 3.2376 2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 2.2684 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 4.6331 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 4.4772 3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 2.9972 2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 2.9552 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 5.3645 2.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 4.6173 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 6.6805 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 6.1428 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3409 6.0221 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 4.3737 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 4.0079 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 5.6391 -0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 4.4488 -2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 3.0792 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 4.6052 -2.7215 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 26 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 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 1 27100 1 0 27101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 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 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END