HMDB0043037 RDKit 3D TG(15:0/16:0/22:2(13Z,16Z)) 166165 0 0 0 0 0 0 0 0999 V2000 5.7794 2.2802 2.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 2.3490 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 2.1377 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9628 0.7735 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 0.4966 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4031 1.4569 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.0856 -3.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -0.3278 -3.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -0.7711 -4.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.2421 -5.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -1.3865 -4.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 -0.6209 -5.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -0.7314 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 -0.1531 -4.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 -0.4930 -2.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 -1.9229 -2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 -2.1400 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3503 -1.3905 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.5635 1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 -0.8919 2.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 0.5690 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.8784 1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 0.0528 1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 1.9748 0.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 2.0363 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 2.3301 0.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6070 2.0131 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6997 0.7464 -0.7782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2654 0.0918 -1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6348 0.6935 -2.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -1.3852 -2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -2.0533 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9094 -3.5396 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 -4.2232 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 -5.6951 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 -6.4549 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -7.9127 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 -8.8002 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1451 -8.6658 1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -9.8111 2.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 -9.8632 3.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -8.6325 4.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 -8.2874 5.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 -9.3533 6.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 3.6514 0.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 3.9941 2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 3.0179 3.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 5.4021 2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 6.1231 3.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 5.7861 4.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 4.4833 4.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 4.0980 3.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 5.0664 3.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 4.4505 2.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 5.2501 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2384 6.6056 1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 6.4982 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 7.9064 -0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 7.8890 -2.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 7.1074 -3.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 7.1490 -4.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 6.3640 -5.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 2.3509 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 1.3193 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 3.0711 3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 3.2970 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 1.4853 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 2.1802 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0431 2.9396 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8691 0.7035 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 0.0004 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2771 0.6887 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 -0.5534 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6548 2.5251 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 1.8525 -3.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9086 -0.3025 -2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -1.0458 -2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1654 -0.7022 -5.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -1.5506 -6.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 -2.5223 -5.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 -1.1944 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.4485 -5.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -1.0349 -6.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.8142 -5.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -0.2354 -6.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 0.9859 -4.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -0.2046 -4.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 0.0304 -2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 0.0192 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6032 -2.2426 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9427 -2.6382 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -3.2127 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1673 -1.8316 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 -1.9181 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -0.3353 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -1.2819 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -2.6844 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -1.0106 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 -1.3769 2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 0.9419 3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.0626 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 2.7950 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 1.0382 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 1.7044 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6921 2.7365 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4646 2.3252 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -1.8725 -2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4699 -1.4498 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 -1.9751 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 -1.6164 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -4.0028 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8097 -3.6452 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9685 -3.7600 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 -3.9628 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 -5.8620 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4573 -6.0746 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 -6.0520 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -6.1084 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3515 -8.1046 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -8.3300 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 -9.8663 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 -8.8250 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 -7.7662 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 -8.7154 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2489 -10.7795 2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 -9.5760 3.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3324 -10.7633 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 -10.0218 2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -8.8052 4.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0324 -7.7541 3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8677 -8.0298 5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -7.3710 5.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 -8.9114 7.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 -10.2395 6.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8171 -9.5771 6.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 5.5010 3.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 5.9361 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 7.2197 3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 6.2916 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 6.6338 4.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 5.9081 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 3.6642 4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 4.5088 5.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 3.1353 3.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 3.9861 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 5.0735 4.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 6.0854 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 3.4626 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 4.2286 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 5.3165 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 4.6801 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6461 7.1634 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 7.1796 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5055 6.0151 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 5.9130 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 8.4985 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 8.4406 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 8.9279 -2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 7.5291 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 6.0534 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 7.5946 -3.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 8.1657 -4.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 6.6986 -4.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 6.3444 -5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 6.8388 -6.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 5.3115 -5.4088 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 1 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 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 26 45 1 0 45 46 1 0 46 47 2 0 46 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 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 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 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 0 25103 1 0 26104 1 1 27105 1 0 27106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 44135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 62166 1 0 M END