HMDB0050015 RDKit 3D TG(18:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -7.9524 -6.1010 -1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4847 -6.2794 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2275 -7.6585 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -8.0801 0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -7.1518 1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0965 -7.3692 2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -6.5693 2.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 -5.1571 1.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -4.3949 1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0871 -3.8067 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 -3.8243 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 -4.4734 -1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 -3.8911 -3.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -2.5144 -3.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 -2.2549 -4.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 -2.7979 -3.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0294 -2.2738 -2.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 -2.7323 -2.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 -3.2025 -3.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 -2.6531 -1.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 -3.0468 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 -2.1989 -1.3281 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5936 -0.9207 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 0.0246 -0.6775 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 1.2937 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 1.4783 0.4971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 2.2811 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 3.6458 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6419 3.9403 1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 3.6252 2.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 4.0677 3.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 3.4429 2.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 1.9160 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 1.2636 2.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 0.5281 3.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 0.2666 4.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 -1.2603 4.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -1.6488 6.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -3.1516 6.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 -3.6984 5.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 -3.1410 5.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -3.7758 5.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 -3.3066 5.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 -1.9985 -2.7115 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 -2.4215 -3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -3.0037 -2.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -2.3602 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 -1.6836 -5.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -0.2386 -5.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.4555 -5.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.0510 -5.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3412 0.4487 -4.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 1.8629 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7005 2.8600 -4.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 3.6972 -3.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 3.6328 -3.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 4.9822 -3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4975 5.7455 -2.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7789 5.4782 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 6.5874 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 6.2951 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 7.3067 2.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 8.7043 1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1275 -6.6517 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 -5.0234 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6462 -6.3226 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2884 -5.4901 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -6.0932 -1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4333 -8.4427 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6591 -9.1369 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1562 -7.5009 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7768 -6.1493 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -8.4650 2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -7.0473 2.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -4.6323 2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 -4.9591 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9908 -4.2374 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -3.2544 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 -4.3183 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -2.7393 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 -5.5425 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -4.4862 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -1.8731 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -2.0325 -3.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0979 -2.6381 -5.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 -1.1421 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 -3.9263 -3.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -2.5298 -4.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -1.1895 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 -2.7817 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -4.0935 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -3.1506 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -2.7956 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 -1.1855 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5976 -0.5030 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 2.3628 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 1.9733 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 4.0353 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 4.3292 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8011 5.0990 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 3.6563 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 4.0873 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 2.5337 3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 5.1850 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 3.7904 4.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 3.6272 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 3.8364 3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 1.4943 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 1.8189 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 1.3910 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.1004 2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.6799 4.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 0.4976 4.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 -1.6003 4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -1.7758 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 -1.3421 6.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -1.1246 6.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -3.6064 5.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -3.4852 7.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 -4.8026 5.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 -3.5694 4.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -3.4251 7.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -2.0328 5.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -4.8643 5.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -3.5101 4.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 -3.7129 6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 -3.7449 4.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 -2.2076 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8799 -3.5026 -5.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9361 -2.0586 -4.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5489 -2.0395 -6.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 -2.1696 -5.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 0.0456 -7.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9322 0.2521 -5.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 1.5438 -5.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1551 0.3478 -3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -1.1720 -5.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -0.1618 -6.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 0.3070 -3.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -0.2202 -4.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 2.0603 -6.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 1.8723 -4.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 3.0098 -4.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 4.4519 -2.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 2.9131 -3.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 3.4498 -1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 5.3259 -4.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 6.7248 -2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 5.5968 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 4.5372 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 7.5256 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 6.5868 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 5.3010 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 6.2885 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 7.0511 3.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 7.2874 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 8.7657 1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1032 9.0422 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 9.4107 2.4854 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 55 56 1 0 56 57 1 0 57 58 2 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 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END