HMDB0042711 RDKit 3D TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) 173172 0 0 0 0 0 0 0 0999 V2000 4.2951 -6.4102 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 -5.6105 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -6.5527 3.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -5.8506 4.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -5.2377 3.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -4.5885 4.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -3.3478 4.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -2.2696 3.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -1.2803 4.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -0.9476 4.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0244 -1.4492 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 -0.2111 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -0.0072 0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 -0.8648 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.2522 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -2.4777 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 -3.6287 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 -4.5760 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 -4.2045 -1.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 -3.1028 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -2.8353 -3.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -2.4841 -2.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 -2.3138 -3.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -2.2816 -1.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 -1.9582 -1.2637 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3575 -0.6506 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 0.3736 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9032 1.7361 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 2.0740 0.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2976 2.6202 -2.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8325 2.3842 -2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 2.7644 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 2.2717 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 2.5858 1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 2.2327 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 2.4309 3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 3.8039 3.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 3.9877 4.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 5.3442 3.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 5.5949 4.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 6.8950 4.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 7.0559 3.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 5.9454 3.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4271 6.1960 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5107 6.2567 3.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5410 6.0899 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1079 7.3640 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 7.1518 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6753 8.3951 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 8.2228 -2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -3.0952 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 -4.2427 -1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 -5.4580 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9474 -5.5256 0.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -6.6105 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3621 -6.9737 -2.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8637 -5.9730 -3.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 -5.6128 -4.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3587 -4.6631 -5.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8627 -3.3618 -5.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3659 -2.4734 -6.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8651 -1.1575 -5.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0048 -1.2828 -4.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4793 0.0603 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3736 0.7978 -3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8691 -0.0025 -2.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9455 -0.2737 -1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 -7.0586 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 -5.7432 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 -7.0510 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -5.2158 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -4.7753 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6295 -7.4512 2.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -6.9042 3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 -6.5303 5.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -5.0245 4.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -4.5773 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 -6.0816 3.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1634 -5.2522 5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 -3.0108 5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 -2.7017 3.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 -1.8184 3.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.8300 5.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.2170 4.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 -1.9116 3.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 -2.2102 2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 0.5341 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.9557 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.1557 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -1.5998 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -0.4137 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -2.6416 -2.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -4.1842 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 -3.4377 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -5.1002 -2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -5.4751 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 -3.8089 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 -5.1301 -2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 -2.1649 -2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -3.3064 -3.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1054 -1.9988 -4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 -3.7081 -4.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8004 -1.8643 -2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -0.6915 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4675 -0.4823 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 3.6668 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 2.4256 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 2.9281 -3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 1.2961 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 2.4049 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 3.8872 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 2.9426 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 1.2478 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 2.0118 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 3.7012 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 1.1860 2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 2.8595 3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 1.6688 3.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 2.1882 4.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 3.9850 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 4.5456 3.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 3.9028 5.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2803 3.1628 4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 5.4112 2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 6.1097 4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 5.6938 5.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0886 4.7261 4.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 7.8088 4.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4787 8.0630 3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 5.6436 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 5.0366 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4845 6.3298 5.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4874 6.4531 3.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 5.2393 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5936 5.9253 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 8.1822 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1394 7.4636 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 6.3076 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 6.8568 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0655 9.2754 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 8.5739 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 8.7212 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6544 7.1516 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6389 8.6310 -2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5631 -3.2271 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9675 -2.8259 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 -7.5233 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -6.3825 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1991 -7.1809 -1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1589 -7.9174 -3.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3371 -5.0948 -3.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6842 -6.4872 -4.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 -6.5637 -5.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 -5.1924 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5579 -4.4682 -6.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -5.1562 -6.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7993 -3.5824 -4.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -2.8257 -4.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 -3.0028 -6.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4424 -2.2580 -6.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -0.5718 -5.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2334 -0.5934 -6.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8216 -1.9193 -4.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8632 -1.7294 -5.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8131 0.7263 -5.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3084 -0.1019 -3.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8219 1.7236 -3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5564 1.0676 -4.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0834 0.6136 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4436 -0.9742 -2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4601 -0.5537 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5313 0.6555 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6152 -1.1128 -1.7598 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 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 2 0 28 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 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 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 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 6 26104 1 0 26105 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 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 67173 1 0 M END