HMDB0042916 RDKit 3D TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) 157156 0 0 0 0 0 0 0 0999 V2000 1.6416 13.7063 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3848 12.8514 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 11.5337 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 10.4235 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 10.3974 2.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 9.5502 2.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 8.4891 3.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 7.9760 4.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 6.6118 3.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 6.1623 2.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 7.0522 2.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 6.5240 3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 6.1558 2.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3957 6.2249 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6268 4.8458 0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 4.1840 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 4.8024 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 4.7939 -2.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 4.1670 -2.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 3.4332 -2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 4.0010 -3.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 3.2601 -2.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 3.5884 -1.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 2.1226 -3.2804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 1.4319 -2.7693 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4736 0.0758 -2.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 0.3715 -1.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.5410 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 -1.7651 -0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.2591 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 -1.5216 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 -1.2787 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -0.7833 3.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -1.4631 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 -2.7848 4.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -3.9766 3.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -4.2998 3.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -5.3878 3.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -6.5901 4.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -6.7573 4.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 -7.6591 4.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -8.6674 3.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 -8.4980 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -7.1555 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 -6.9276 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -5.5365 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 1.1879 -3.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 0.6084 -3.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 0.1961 -3.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 0.3258 -5.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5288 -0.3895 -3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5448 -0.9242 -4.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 -2.0461 -4.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9704 -3.3559 -4.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7426 -3.5430 -3.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -3.3432 -4.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 -3.5395 -3.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9687 -3.4219 -4.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 -4.4220 -5.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 -5.8017 -4.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 -6.6551 -4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -6.9785 -4.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 -7.8725 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 14.7375 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 13.7110 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 13.2761 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 13.3404 0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 12.8831 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 11.4967 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 9.4642 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3482 10.0329 2.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 11.3773 2.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 9.8613 2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 7.9537 3.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 8.6855 4.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 7.8725 5.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 5.8880 3.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 5.1278 2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 8.0409 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9584 7.1677 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 6.4481 4.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 5.7745 3.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 6.8083 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3727 6.8176 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4871 4.3336 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 3.1655 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 5.8751 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 4.3290 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 5.3506 -2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 4.2245 -3.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 2.4113 -3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 3.1947 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 3.9792 -4.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 5.0728 -2.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 1.9459 -1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9495 -0.3976 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2879 -0.5349 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.1349 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 0.5028 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -1.7400 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 -2.4076 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 -2.0565 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -0.3789 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 -0.6291 3.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 0.3201 2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 -0.7776 4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.4433 3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.7546 4.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 -3.0818 5.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 -3.6653 2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -4.7903 4.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -3.4595 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 -5.3970 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 -7.4715 3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -6.8133 4.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -6.1264 5.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 -7.7037 5.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 -8.6437 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -9.6912 3.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -9.3063 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 -8.6416 3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9195 -7.0003 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9424 -6.3940 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 -7.6547 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -7.0498 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 -5.5904 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 -4.9760 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 -5.0048 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 2.1789 -4.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 0.6013 -4.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2716 -0.9773 -2.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.5708 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1104 -0.0855 -4.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3923 -1.3074 -3.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1485 -2.1541 -5.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4204 -1.6948 -5.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8297 -3.6857 -3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 -4.1527 -5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7235 -3.0112 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7459 -4.6607 -3.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3988 -2.2737 -4.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 -3.9351 -5.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -2.7015 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -4.4308 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 -3.3797 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 -2.3671 -4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -4.4369 -6.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -4.0305 -5.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 -5.8138 -4.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -6.3647 -5.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -7.6951 -4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -6.4402 -3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -7.6638 -5.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 -6.1646 -5.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -8.2253 -4.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -7.2811 -2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7386 -8.7197 -3.5956 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 2 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M END