HMDB0042641 RDKit 3D TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -2.5855 -10.2720 -2.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 -9.9621 -4.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 -10.0982 -4.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 -9.2288 -3.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -7.7328 -4.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 -7.0199 -3.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 -6.2415 -2.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -6.0046 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -4.5755 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 -3.8345 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -4.3152 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 -3.4482 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -2.7107 2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 -2.6845 2.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 -3.1275 4.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -2.4054 5.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -1.1011 5.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 0.0024 5.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8412 1.2828 5.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 2.4588 6.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 2.6191 7.4703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 3.4003 5.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 4.5614 6.3289 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6928 5.8284 5.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 6.2472 4.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 7.3894 4.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 7.8819 5.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 8.1257 3.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 7.8028 1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 6.6129 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 5.3077 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 4.0258 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 3.7768 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 4.4914 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 4.2528 -2.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 3.6169 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 3.0463 -3.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0792 1.5955 -3.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1969 0.6260 -3.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 0.7470 -3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 -0.3337 -2.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 -0.1270 -3.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4806 -1.1522 -2.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -0.8826 -2.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 4.6054 6.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4158 4.3168 6.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 4.6985 4.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 5.5226 4.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 4.1778 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 4.3262 2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 3.8179 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 3.8055 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 2.8715 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 1.4397 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 0.9607 0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9735 0.9551 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5541 0.0766 -1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -1.3546 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -2.3350 -2.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 -3.7231 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 -4.7963 -2.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 -9.7919 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 -11.3434 -2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -9.8382 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -10.6428 -4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 -8.8966 -4.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5967 -11.1440 -4.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 -9.8140 -5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 -9.3654 -4.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -9.5015 -2.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -7.5712 -5.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -7.5397 -3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -7.1580 -3.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -5.7500 -1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 -6.5686 -2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 -6.4137 -0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 -4.1199 -2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -2.7631 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -4.4086 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7429 -5.3451 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -3.4340 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 -2.0745 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 -3.3275 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 -1.6025 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3158 -4.1173 4.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 -2.8348 6.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0698 -0.7437 4.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8577 -1.1677 5.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -0.2670 6.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 -0.0152 5.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 1.0622 5.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 1.4219 4.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 4.4259 7.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 5.8441 6.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 6.6496 6.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 9.2507 3.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 8.2734 3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 8.6908 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 7.7973 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6309 6.7654 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 6.6907 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 5.2685 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6377 5.2275 2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 3.8220 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 3.2122 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 4.1225 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 2.6823 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 4.1195 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2757 5.5581 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 4.6401 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2095 3.5126 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 3.1820 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6559 3.6431 -4.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9969 1.5198 -4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1756 1.3109 -3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 -0.4501 -3.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 0.7177 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 1.6831 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6719 0.6561 -4.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 -1.3052 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0017 -0.3569 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 0.9089 -2.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 -0.1281 -4.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -1.2034 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 -2.1371 -2.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -1.7010 -3.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 0.0827 -3.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -0.8197 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 3.9224 7.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4738 5.6239 7.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 4.6897 4.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2705 3.0877 4.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 3.7944 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 5.4030 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0319 2.8802 3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4894 4.5820 3.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 4.8718 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 3.5952 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 3.1600 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8846 3.0335 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 1.3585 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 0.7542 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6271 1.5687 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -0.0496 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 1.9574 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 0.4802 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 0.0963 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 0.3741 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5173 -1.6695 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 -1.4711 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -2.1309 -2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 -2.3744 -2.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1193 -3.9555 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3718 -3.7389 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 -4.3400 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -5.4752 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 -5.4337 -1.9767 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 2 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 2 0 26 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 2 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 23 45 1 0 45 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 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 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END