HMDB0049024 RDKit 3D TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 8.2326 -5.2409 7.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5287 -3.8907 7.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7837 -3.5983 6.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4908 -3.3931 5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -3.4317 7.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 -4.4028 7.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -5.3939 6.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -5.8390 5.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -5.8019 4.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -5.1507 2.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -4.3296 2.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 -4.8668 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 -4.1782 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -2.7710 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 -1.9097 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9161 -1.2083 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 -1.1866 -2.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 0.0943 -2.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 1.1251 -1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2823 1.9339 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 1.4026 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 0.8669 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -0.0918 1.9771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 1.5716 1.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 1.2390 1.8939 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7834 0.9630 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -0.0758 0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3366 -1.3993 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 -1.8079 1.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.3138 -0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 -2.9404 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -2.2804 -2.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1795 -1.4071 -3.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.1198 -3.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 1.0207 -2.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 1.6399 -3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 1.8243 -2.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 1.4273 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 0.6279 -1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 -0.5502 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 -1.4346 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1457 -1.7985 1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6961 -1.6143 2.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 -0.9938 2.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5704 0.2070 3.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0967 0.2648 4.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -0.8202 5.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -0.4317 5.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 2.2898 2.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 3.4909 2.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 4.4293 1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 4.2503 1.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4731 5.6873 1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 6.5929 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2789 7.8825 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 7.6096 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 6.9604 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 7.8462 -2.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 7.1966 -4.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 5.9767 -3.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 4.8026 -4.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 4.4731 -5.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 3.8700 -6.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 3.5347 -7.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 2.9517 -8.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 2.6040 -9.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 2.0280 -10.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0988 -5.1656 6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 -5.5446 8.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5565 -6.0222 6.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -3.9142 8.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3683 -3.1485 7.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4064 -3.5431 5.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1399 -3.1393 4.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 -3.3120 7.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 -2.3948 6.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 -4.2767 8.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3296 -6.0493 6.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 -5.4275 4.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 -6.9825 5.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -6.3900 4.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -5.1894 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 -3.2790 2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8365 -4.6597 3.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -5.9135 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 -4.6786 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -2.7060 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -2.4332 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -1.8866 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 -0.6208 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -1.9308 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -1.6651 -3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 -0.2154 -3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 0.6049 -3.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 0.6731 -1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 1.8761 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 2.4285 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 2.8642 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 2.3264 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6644 0.7401 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 0.3335 2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 0.7391 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 1.8734 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -1.8282 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -3.1355 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 -3.6372 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -3.7598 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9329 -1.6522 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -3.0699 -2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -1.1500 -3.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -1.9863 -4.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 -0.2195 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.3030 -4.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 1.8165 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 0.8044 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 2.0075 -4.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 2.3349 -3.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 2.3886 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2334 0.9393 -0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 1.1264 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4201 -1.0010 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 -2.3267 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 -0.8747 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1534 -2.2873 1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3202 -1.9414 3.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7211 -1.7370 3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 -0.6224 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1122 1.0925 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 1.1798 5.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 -1.0113 6.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 -1.7843 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 -1.3688 5.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 0.0240 6.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 0.2133 5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 2.3389 3.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 1.8100 3.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 6.2309 2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 5.4129 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 6.8783 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 6.1091 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 8.4110 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 8.5128 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 6.9614 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 8.5606 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 6.8566 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 5.9444 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 8.7739 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 8.1600 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 7.0960 -4.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 7.9201 -4.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9615 6.0985 -3.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 3.9271 -4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 5.3662 -5.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 3.7443 -4.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 2.9809 -6.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 4.6104 -7.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 2.7744 -6.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 4.4377 -7.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 3.7801 -9.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 2.0891 -8.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 3.5535 -9.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 1.9385 -8.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 0.9363 -10.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6668 2.5297 -11.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 2.2847 -11.5481 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 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 2 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END