HMDB0043907 RDKit 3D TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z)) 153152 0 0 0 0 0 0 0 0999 V2000 9.5557 -0.8534 -7.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3127 -1.7234 -8.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9493 -2.4046 -6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8432 -2.2916 -6.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 -1.3612 -6.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.3252 -5.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -0.2000 -5.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -1.0489 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 -0.0940 -6.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 0.1088 -5.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.6307 -4.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -1.3571 -5.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -1.1475 -4.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -0.2152 -3.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 0.8586 -4.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 0.3328 -4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -0.4153 -3.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9513 0.3624 -2.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4492 1.4790 -2.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9326 -0.1040 -1.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4191 0.5511 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4496 0.5461 0.2812 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0047 1.4153 1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1135 1.4952 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5812 0.5644 3.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 -0.6207 3.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 1.0016 4.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0178 -0.0815 5.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 0.5652 6.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 -0.4228 6.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 0.2383 7.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1784 0.7622 6.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9543 1.4469 7.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9768 1.8718 6.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 2.7988 5.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 4.1105 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 4.9463 4.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 5.2446 3.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 6.0732 2.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3813 7.4010 3.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 8.1961 2.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 1.0769 -0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 0.3354 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -0.8248 0.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.6550 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 -0.4400 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -1.6935 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -2.7855 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -3.9277 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -5.1819 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -5.3975 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -5.0197 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -3.5550 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -2.9266 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 -1.4479 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6324 -0.7641 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 0.7015 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 0.9863 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8173 2.4728 -1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 -0.9568 -8.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1038 -1.0924 -7.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 0.2395 -7.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 -1.1887 -8.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6682 -2.5495 -8.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6956 -3.1018 -6.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -2.8408 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 -1.9874 -7.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1173 -0.8282 -7.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 0.3575 -5.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 0.5659 -4.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 -1.8018 -6.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 -1.5560 -4.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.4690 -7.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3449 0.8501 -6.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 -1.4046 -4.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.1434 -3.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -2.0676 -6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 -1.6944 -5.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -0.7806 -3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 0.2340 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 1.6588 -3.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 1.3878 -5.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 1.1816 -5.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -0.3391 -5.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3711 -0.8496 -4.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9194 -1.2956 -3.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7002 1.6170 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3737 0.0654 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3244 -0.4567 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9960 0.9733 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1775 2.4161 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 1.8037 4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 1.5229 3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8049 -0.4463 5.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -0.8440 4.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 1.4287 6.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.9363 5.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -1.2390 6.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 -0.9073 7.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 1.0850 8.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -0.4724 8.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.0614 6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 1.5567 6.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 2.3656 8.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 0.7819 8.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 2.4026 7.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.9468 6.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 3.0705 4.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 2.2895 5.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 3.9800 6.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 4.7292 6.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 5.9417 5.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 4.5138 4.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 4.2981 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 5.7459 4.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 5.4722 2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7261 6.2503 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 7.2329 3.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 7.9923 3.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 9.0655 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8537 7.5601 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 8.5429 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 1.5771 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5418 0.9456 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9523 -0.7045 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 -0.0354 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -2.1493 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -1.5385 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 -3.0465 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.4023 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -3.5099 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 -4.1653 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 -5.7193 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -5.8777 -1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -6.5331 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 -4.9267 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -5.4610 -2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 -5.4412 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -3.4705 -2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -3.0704 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 -3.1419 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -3.3850 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -0.9571 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7201 -1.3498 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 -0.8689 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 -1.2241 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 1.1421 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 1.1522 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 0.5525 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 0.5288 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 2.7787 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8824 2.6800 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 2.9756 -0.4464 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 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 1 0 25 26 2 0 25 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 1 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 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 41122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 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 59153 1 0 M END