HMDB0055910 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/O-18:0) 166165 0 0 0 0 0 0 0 0999 V2000 6.4122 6.3317 -4.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 5.1567 -4.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 4.2462 -3.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 2.9822 -3.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 2.2659 -4.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0549 1.6794 -4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 1.6830 -3.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 2.3359 -1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 1.2563 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 1.1632 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 2.1998 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.5207 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 1.4929 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 2.1514 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 1.3291 4.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 0.0634 4.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -1.0185 3.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 -1.9097 3.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -2.2064 3.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -1.7423 1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 -3.0213 0.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 -2.6500 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -3.5289 -1.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 -1.3401 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 -1.1089 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 0.2903 -2.4999 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1176 0.7561 -1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1206 -0.1796 -2.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3435 0.1205 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3445 0.1697 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 0.5263 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8171 -0.3904 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7695 -1.6914 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0439 -2.4101 0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3372 -3.0611 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6724 -4.3428 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2353 -4.5393 -0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4134 -3.8293 -1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9654 -4.2009 -1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -5.6687 -1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -5.9522 -1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9455 -7.4472 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -7.7384 -1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -9.2077 -1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -9.3792 -0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 -8.6489 -1.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 1.1731 -2.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 1.8618 -3.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 1.6512 -4.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 2.8175 -3.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 4.2052 -3.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 4.8960 -2.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 5.3706 -1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 6.0854 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 6.7418 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 5.8950 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6064 6.8413 1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 6.8230 2.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 5.9417 3.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 5.1824 3.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 4.3186 5.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 3.5075 5.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2819 2.5878 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 1.7898 5.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 7.0682 -3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 6.8246 -4.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 5.9816 -3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 4.7359 -5.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 5.6441 -5.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 4.6314 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6808 2.4167 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2171 2.8625 -5.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 1.3503 -5.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 1.1229 -5.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 1.1545 -2.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0043 3.0013 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 2.9427 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 0.5092 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 0.3773 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 2.5685 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 3.0900 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 0.9844 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 0.9810 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.7502 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5805 2.9466 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 1.9351 5.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.3077 5.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 -1.7077 3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -0.7953 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -2.3314 4.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -2.8828 3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4873 -1.2347 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -1.1086 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -3.6363 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -3.5650 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -1.4636 -2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -1.8256 -2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1201 0.3100 -3.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.6590 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 1.7837 -1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6932 1.1489 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1082 -0.5601 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9899 -0.8206 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 0.9256 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6179 0.8365 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9877 1.5119 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9941 -0.6181 -0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7522 0.1544 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 -1.3581 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8425 -2.2285 0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8888 -1.6658 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2168 -3.1788 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2406 -2.3113 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4558 -3.2733 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0908 -5.0856 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0966 -4.7840 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7149 -4.4732 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0894 -5.6586 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6435 -4.1439 -2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4891 -2.7514 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 -3.6952 -2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5808 -3.7664 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9301 -6.0624 -2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2214 -6.2826 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 -5.5420 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 -5.4917 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -7.9447 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 -7.8914 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1812 -7.3660 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 -7.2262 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -9.7809 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -9.6088 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -10.4449 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 -8.9992 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -8.7483 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3231 -7.5801 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -9.0847 -1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 2.8384 -2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 2.5223 -4.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 4.7965 -4.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3429 4.1033 -4.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 4.3159 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 5.8205 -3.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 6.0827 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 4.5440 -1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 6.8428 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 5.3972 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 7.3105 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 7.5941 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 5.1485 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 5.4068 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 7.5772 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 7.5933 2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 6.6114 4.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8243 5.3036 3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 4.6756 3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 5.9427 4.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 4.9817 5.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 3.6598 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 4.1618 5.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 2.8940 6.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 1.8278 4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 3.2227 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 1.3646 4.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1637 2.4664 5.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.9263 5.6920 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 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 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 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 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 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 6 27 99 1 0 27100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 46137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 64166 1 0 M END