HMDB0044481 RDKit 3D TG(16:0/18:3(9Z,12Z,15Z)/18:1(9Z)) 159158 0 0 0 0 0 0 0 0999 V2000 9.9518 0.2626 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6232 0.3346 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8213 -0.0012 1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 -0.9967 2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -1.9598 1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9985 -1.7891 2.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 -2.7198 2.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 -4.0643 3.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -4.7151 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 -5.7957 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 -6.5218 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 -6.5601 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -7.3383 -0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 -6.6849 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -5.2736 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -4.7309 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -3.4236 -0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -2.2833 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 -2.4209 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -1.0149 -0.9385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 0.1713 -0.9115 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1028 1.1740 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.6402 1.4176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 1.3508 2.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 2.4936 2.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 0.8776 3.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.0573 4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 0.1473 4.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 0.1886 3.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 1.1620 2.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 1.1735 2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 -0.1992 1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 -0.0625 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8893 -0.3283 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0013 -0.8378 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 -2.1657 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 -2.6959 -2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 -2.9870 -2.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -3.5580 -3.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -2.6382 -5.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -1.3380 -4.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 -1.6341 -4.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 0.8623 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 1.1469 -2.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 1.7724 -3.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 2.0645 -4.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 2.0735 -4.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 3.5688 -4.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 3.7994 -4.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 5.2858 -4.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 5.9877 -3.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 5.4771 -2.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 6.2525 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 5.7628 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 6.5216 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 6.1133 2.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7037 6.2920 2.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1157 5.8547 4.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8417 4.4153 4.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2828 4.1414 6.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 5.0388 6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9630 0.8677 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 0.7105 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1924 -0.7862 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 -0.1177 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4008 1.4619 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5014 0.6130 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -1.1493 3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.9157 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0845 -1.5409 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 -0.7600 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -2.3906 3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -4.7206 2.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9249 -4.2394 4.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 -4.3695 2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0355 -6.1838 1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0479 -7.6132 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -6.2875 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -5.5599 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -7.1161 -0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -8.3834 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6491 -7.3601 -1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 -7.3142 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 -6.6821 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -5.4256 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 -4.6608 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -4.7066 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 -5.4923 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 -3.1808 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -3.4963 -1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -0.0001 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 2.1299 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 1.2233 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 0.5666 4.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 1.8440 4.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -0.2887 5.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 -1.1256 4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 1.1971 5.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 -0.4877 5.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 0.2373 4.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -0.8541 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 0.8923 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 2.1821 3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 1.5720 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 1.8622 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 -0.8546 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 -0.6320 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3432 0.3123 1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9423 -0.1765 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -0.1474 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -1.0037 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 -2.0514 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 -2.8867 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -1.9335 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -3.6492 -3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 -3.7550 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -2.1296 -2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 -3.7243 -3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -4.5297 -4.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 -2.4083 -5.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -3.1395 -5.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 -0.7324 -5.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 -0.7657 -3.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.5086 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -0.9150 -4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -2.6733 -4.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 1.8380 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 0.2762 -3.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.7009 -5.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 1.5650 -3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 4.0591 -4.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 4.0616 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 3.3864 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 3.2998 -5.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 5.3876 -4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 5.7503 -5.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 6.0260 -3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 7.0563 -3.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 5.7372 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 4.3916 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 7.3412 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 6.1354 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 4.6982 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 5.8918 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 7.6140 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 6.3342 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 5.0166 2.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 6.5748 3.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 7.3747 2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 5.6922 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 6.4613 5.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2146 6.0357 4.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 3.7279 3.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 4.1705 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0211 3.1023 6.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3456 4.3584 6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 5.9437 7.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 5.3320 6.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 4.5013 7.9217 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 1 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 2 0 24 26 1 0 26 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 2 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 1 0 21 43 1 0 43 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 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 1 22 92 1 0 22 93 1 0 26 94 1 0 26 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 34109 1 0 35110 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 42126 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 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END