HMDB0052429 RDKit 3D TG(18:2(9Z,12Z)/16:0/20:3n6) 163162 0 0 0 0 0 0 0 0999 V2000 -6.0338 2.4641 -6.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7213 2.4967 -6.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 1.7933 -6.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 1.7811 -6.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 1.0372 -7.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.9557 -6.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -0.1622 -6.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -1.4792 -6.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -2.2159 -7.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -3.3093 -7.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -3.8905 -6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -5.2364 -6.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 -6.3511 -5.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -6.4186 -5.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 -6.8675 -3.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -5.8501 -2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -6.1165 -1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -4.9695 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -4.9265 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -4.8712 1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 -5.1333 1.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -4.5285 2.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -4.4394 3.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.8546 5.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3276 -4.7415 5.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -4.0593 6.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -4.7121 6.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 -5.8906 6.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 -3.9903 7.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 -2.7681 6.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 -3.3037 4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -2.3143 3.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9029 -1.2425 3.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 -0.2981 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 0.8484 2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 1.7117 1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 2.0430 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 1.6462 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 0.9056 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 -0.2880 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -1.1349 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 -1.3689 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 -0.0108 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 -0.1540 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.9521 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 -2.5658 4.7822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -1.4618 5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.6252 6.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -0.1126 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 0.9257 4.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 2.2596 4.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 3.3650 4.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 4.6598 4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 4.6224 2.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 5.9742 2.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 5.8654 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 7.2416 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4607 7.2381 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 6.4137 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 6.5160 -1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 5.7767 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7094 4.3095 -1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 3.6223 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 2.9081 -7.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 2.9872 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2802 1.3997 -7.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 1.9581 -5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 3.5341 -5.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 2.2165 -7.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 0.7108 -7.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 2.8069 -6.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 1.1907 -5.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 0.1604 -7.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 1.7674 -8.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 1.9162 -6.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 -0.1378 -6.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 -1.4697 -7.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -1.9361 -5.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -1.7598 -8.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -3.8256 -8.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8938 -3.2834 -5.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.9187 -5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 -5.2798 -6.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 -7.2669 -5.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 -5.4780 -5.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -7.2105 -5.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -7.8784 -3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5232 -6.9435 -3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 -5.8387 -3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -4.8182 -2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -7.0383 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 -6.3143 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 -3.9887 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -5.0287 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 -4.1093 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -5.8779 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -5.4496 4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 -3.8378 3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -3.8056 5.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 -5.1211 4.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 -5.6510 6.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 -3.5807 8.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8115 -4.6221 7.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 -2.2881 6.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 -2.0575 6.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 -3.9895 5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 -3.9725 4.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9994 -2.8685 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -1.8672 4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 -0.6571 4.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -1.7559 3.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 0.1622 2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.8289 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 0.4276 2.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.4273 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 2.0805 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 2.7078 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 2.6099 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 1.0826 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 1.4301 -1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 -0.6765 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -2.1500 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -0.7241 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 -2.0275 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 -1.8214 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 0.4454 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 0.6200 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -0.6899 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 0.8669 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -0.3417 2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4439 -1.0546 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 -1.9244 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 -0.1709 3.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.2288 5.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.7345 4.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 1.1041 5.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 2.5438 5.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2591 2.1147 3.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 3.5355 5.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 3.1740 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 5.4930 4.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 4.9894 4.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 4.2588 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 3.8740 2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 6.7178 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 6.3863 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 5.4097 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 5.1442 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 7.8687 0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 7.7065 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 8.2713 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 6.7858 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 5.3749 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4072 6.8678 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 6.1507 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 7.6138 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2493 5.9143 -2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 6.2942 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7742 3.9275 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2937 4.1038 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6642 3.1370 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 4.2936 -3.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 2.8070 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 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 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 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 3 70 1 0 4 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 15 88 1 0 16 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 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 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 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 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 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END