HMDB0044274 RDKit 3D TG(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -8.7744 5.0652 3.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5562 3.5704 3.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9582 3.0565 2.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 2.4889 1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 2.3083 3.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7875 0.8627 3.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 0.2283 3.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 0.9659 3.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 0.6768 4.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 0.1250 4.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 -0.2982 3.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 -1.7440 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -2.2072 3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.3579 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7259 -1.8324 1.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 -1.1522 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.2025 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 1.2311 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 2.5757 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 3.4254 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 3.0404 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 2.8364 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 3.6936 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 1.7620 -0.7362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 1.6603 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 0.4943 -2.5601 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2036 0.7012 -3.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 0.7309 -3.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 0.8225 -3.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 0.8731 -5.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 0.8595 -3.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 0.8317 -4.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 0.8899 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 0.8461 -5.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3457 0.9038 -4.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 2.2090 -4.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 2.4093 -3.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2892 3.6858 -3.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6935 3.9886 -1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 4.0443 -1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 5.0267 -2.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 4.9128 -2.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 5.7170 -2.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 7.1840 -2.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4525 7.7556 -3.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 0.4079 -3.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 -0.8530 -3.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -1.7898 -2.8573 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.1702 -4.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 -1.0895 -3.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1856 -1.8818 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6914 -1.5156 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3123 -2.4645 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9722 -2.0452 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5784 -3.0501 2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9446 -4.3504 1.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3436 -4.9374 2.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 -4.3984 4.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -4.1088 4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 -4.7057 5.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -5.6957 6.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -6.9855 6.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -7.6189 5.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -8.8615 5.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -8.4665 6.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2612 5.1704 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8515 5.6409 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5212 5.3814 3.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1862 3.2841 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6366 3.1648 3.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5073 3.1420 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3407 2.0921 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 2.7751 4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 2.9088 2.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7178 0.2796 3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 -0.8917 3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5337 2.0592 3.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.6132 2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 0.9584 5.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 -0.0653 5.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 0.3457 3.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3523 -0.2350 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2912 -2.4008 3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -3.2957 3.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 -0.3002 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -1.5744 3.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -2.8445 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.5970 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 0.4196 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 0.1063 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 0.7867 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 1.3414 1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 2.5475 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 3.1765 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 4.4896 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 3.5507 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 3.9758 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 2.2701 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 2.6309 -2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 1.6843 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 -0.4513 -2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 1.7144 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 -0.0137 -4.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -0.0359 -2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8259 1.7852 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -0.1536 -5.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 1.6937 -5.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2153 0.0813 -3.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0756 1.8490 -3.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 1.7336 -5.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6491 -0.1141 -5.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 0.8230 -5.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5501 0.0176 -4.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 2.1185 -3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 3.0239 -4.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6900 2.4074 -4.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4078 1.5597 -3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4256 3.7028 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0828 4.5017 -3.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1931 4.9127 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0728 3.1777 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7006 3.1177 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 4.5225 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7968 4.9404 -3.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 6.0425 -2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 5.2451 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 3.8244 -2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 5.4071 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 5.4019 -4.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9283 7.5575 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 7.6322 -3.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2294 8.6916 -4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 7.1173 -4.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 8.1851 -2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 -0.5639 -5.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -2.2343 -4.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 -1.3770 -4.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 0.0142 -3.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0183 -2.9983 -2.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3165 -1.8231 -2.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 -1.4739 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1536 -0.5153 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4186 -2.2800 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1294 -3.5120 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 -1.0572 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8872 -2.0634 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -2.5514 3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6606 -3.0737 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 -4.8532 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8673 -5.9076 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -3.4888 4.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7398 -5.1582 4.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2463 -3.3753 4.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -4.4165 6.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -5.2907 7.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -5.9706 6.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 -6.7977 7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -7.7212 7.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9657 -7.9935 5.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -6.9527 4.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -9.2722 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -9.6332 6.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 -7.3724 5.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -9.0248 5.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 -8.6967 7.2051 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 1 0 29 30 2 0 29 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 26 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 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 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 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 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END