HMDB0046320 RDKit 3D TG(22:0/16:0/20:4(5Z,8Z,11Z,14Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -8.8612 -6.6320 -6.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8049 -5.6721 -6.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4212 -6.0196 -6.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3169 -6.0557 -4.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8692 -6.4088 -4.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 -7.7114 -5.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -8.7346 -4.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 -8.7480 -2.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 -9.2071 -2.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -8.6177 -1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 -7.2930 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -6.4008 -1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 -5.2713 -1.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -4.6892 -2.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 -4.4906 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -3.3955 -4.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 -2.0695 -4.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 -1.6408 -2.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.0946 -2.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 0.2636 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 -0.0589 -0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 0.9317 -1.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 1.3443 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 2.4674 0.7538 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2174 3.6146 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6387 4.8123 0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 5.8572 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2938 5.6120 -1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 7.1968 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 7.6154 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 9.0170 -1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 9.5970 -2.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 8.7355 -2.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 9.2909 -2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 8.5475 -2.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 7.2088 -3.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 6.1252 -3.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 4.7714 -3.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 4.3667 -3.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 4.2433 -1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 3.8316 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 3.7386 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 3.3329 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2658 4.3209 0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5578 4.0121 1.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 4.0174 3.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6579 3.7194 3.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 2.3528 3.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4860 2.1605 4.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 2.0460 1.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 1.9049 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2188 2.1425 3.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 1.4598 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 1.7476 1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 1.4745 1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 0.1722 2.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 -0.3606 3.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 -1.7297 3.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -2.2964 5.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -1.4265 6.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 -1.9635 7.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -2.1527 7.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 -2.6843 9.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -2.9074 10.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -3.8854 9.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -3.7136 8.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 -4.8444 8.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7917 -6.4099 -7.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5832 -7.6852 -6.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 -6.4704 -5.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8068 -5.6790 -8.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0862 -4.6504 -6.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1548 -7.0048 -6.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7366 -5.2358 -6.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 -6.7862 -4.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4805 -5.0389 -4.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -5.5809 -4.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 -6.3737 -3.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4545 -7.8075 -6.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 -9.6833 -4.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -9.4849 -2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -7.7712 -2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 -10.2368 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -9.1632 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -7.5110 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0986 -6.8580 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -6.7840 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -4.7201 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -5.4952 -2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 -3.8604 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -5.4126 -4.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -3.4857 -5.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -1.4095 -4.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -1.6327 -4.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 -1.7232 -2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 -2.0329 -2.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 0.0677 -3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 0.4147 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9943 1.7257 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0313 0.5040 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 2.6764 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3199 3.8087 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 3.2383 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 7.4215 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 7.9142 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 6.8754 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 7.6228 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 9.0732 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 9.6633 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 9.6613 -3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 10.6268 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 7.7328 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 8.7271 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 10.3354 -2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 9.4889 -4.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 8.5391 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 9.1781 -3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 7.2981 -4.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 6.8856 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 6.2659 -3.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 6.0157 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 4.7496 -4.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 4.0330 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 3.3268 -3.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 4.9665 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 5.2052 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 3.5069 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 4.6552 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 2.8816 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 2.9307 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 4.6581 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9718 3.2503 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 2.3147 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9465 5.3237 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 4.3096 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 4.8329 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9868 3.0741 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 4.9700 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6023 3.2376 3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4108 4.4937 3.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5165 3.7717 4.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5021 2.3051 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 1.5735 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 3.1470 4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1485 1.4390 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2382 1.7989 5.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1118 0.3224 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 1.7690 3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 1.2109 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 2.8665 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 1.7715 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 2.2472 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0256 0.1788 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6275 -0.6321 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -0.3908 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 0.3205 4.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 -2.4040 2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -1.7224 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 -2.4042 5.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 -3.2900 5.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 -0.4071 6.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 -1.2615 5.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -1.2037 8.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -2.9105 7.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 -2.8072 7.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 -1.1848 7.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -3.6750 9.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -2.0010 9.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 -1.8888 10.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -3.1109 11.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 -3.9491 10.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -4.9219 9.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -3.8394 7.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 -2.7625 8.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -5.0203 7.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4423 -5.7413 8.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 -4.4480 8.6544 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 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 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 46 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 2 0 51 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END