HMDB0048936 RDKit 3D TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -0.5674 -3.7024 -3.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 -4.8320 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 -5.6985 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -5.9334 -3.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -5.4757 -4.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -4.7468 -3.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -3.5700 -4.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3304 -2.7036 -5.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7778 -1.4331 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -0.9189 -4.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 -1.5439 -5.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -0.4833 -6.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 0.0366 -7.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -0.3491 -6.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 0.8123 -5.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 0.1955 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 1.1116 -4.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 1.5831 -2.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 2.4958 -1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.7010 -1.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 1.9797 -1.6617 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 0.6028 -0.7102 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 -0.2993 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -1.3827 0.5392 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4727 -0.9652 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -0.0038 1.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -0.0939 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -1.1635 -0.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 0.8420 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 1.6417 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2834 2.4649 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 3.2110 2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 4.3071 2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 5.5149 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 6.6291 2.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2661 6.2266 2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 7.0574 1.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 8.3856 1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 8.6603 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 7.9595 -1.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 6.4983 -1.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 6.0320 -2.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4116 4.5498 -2.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 -2.4110 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 -3.6865 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -3.9053 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9648 -4.8300 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 -5.6227 2.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -5.1319 3.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -3.9950 4.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -4.0656 4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -2.8240 4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -2.6903 5.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -1.5008 6.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 -0.4372 5.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 -0.2206 4.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.0491 4.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 -0.7980 4.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -1.9242 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -3.2665 3.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 -3.7001 5.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9581 -2.9788 6.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 -3.5695 7.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 -3.0328 -3.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 -4.1157 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 -3.1698 -4.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -4.4625 -5.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -5.3776 -5.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3993 -6.1741 -2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -6.6181 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 -6.4222 -4.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 -4.9692 -5.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 -5.2817 -2.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5178 -3.1614 -3.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 -3.1658 -5.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3128 -2.4548 -5.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 -0.8313 -3.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 0.0360 -4.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -2.4334 -6.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 -1.7033 -5.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3674 -0.1941 -7.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 0.8199 -7.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 -1.2141 -5.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 -0.4843 -7.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 1.1198 -4.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 1.6447 -6.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -0.7163 -4.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 -0.2117 -5.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 0.5195 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 1.9717 -4.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 1.9255 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 0.6459 -2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 3.4437 -2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 2.6760 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 0.2669 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6936 -0.7669 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -1.8780 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 -0.5111 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0303 -1.8673 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 1.4830 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 0.2562 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 2.2476 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 0.9432 2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 1.7405 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 3.1270 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 3.5983 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 2.4694 2.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 4.0312 2.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 4.6560 3.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 5.2803 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 5.8522 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4601 7.5264 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 6.6263 3.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 5.2338 2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 6.7037 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 9.1383 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 8.8001 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 9.7968 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 8.4265 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 8.2147 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 8.4240 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 6.1872 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 5.8891 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 6.5848 -3.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 6.2068 -2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 4.2556 -3.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.9399 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 4.2820 -3.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -5.5372 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 -4.4609 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -6.6346 1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -5.9326 1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -5.0020 3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -6.0200 4.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 -2.9886 3.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -3.9091 5.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -4.0780 3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -4.9358 4.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 -1.8908 4.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 -2.8540 5.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 -2.6520 4.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 -3.6195 5.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2593 -1.5126 7.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 0.3706 6.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -0.9899 3.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 0.7899 4.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 0.7782 5.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 -0.5154 4.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 -1.8769 3.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -1.6718 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1852 -4.0740 3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 -4.8063 5.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 -1.9217 6.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -3.1682 6.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 -3.3266 7.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -4.6572 7.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 -3.0325 8.3945 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 1 0 35 36 1 0 36 37 2 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 24 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 2 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 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 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 34111 1 0 35112 1 0 35113 1 0 36114 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 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M END