HMDB0046519 RDKit 3D TG(22:0/18:1(9Z)/20:3n6) 183182 0 0 0 0 0 0 0 0999 V2000 -2.8356 -4.3328 8.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -3.1604 7.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -2.4192 6.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 -3.2468 5.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 -3.7753 4.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 -2.6655 4.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2372 -2.4274 2.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7276 -3.2938 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 -2.3862 1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 -2.1937 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -2.7251 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -3.5534 -1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 -4.8559 -1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 -5.3151 -2.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 -5.7480 -3.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 -6.1688 -3.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -5.0344 -3.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -5.4969 -3.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -4.2085 -3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -4.3987 -2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 -5.0633 -1.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 -3.9430 -3.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -4.2205 -2.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -3.8312 -3.8005 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2242 -4.2259 -2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 -3.5174 -1.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 -2.4887 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 -1.8049 -2.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -1.4325 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 -1.0123 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 0.0589 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 0.5474 2.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 1.3091 2.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4429 2.6046 1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 3.3480 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 2.6022 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 3.2331 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 3.3665 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 3.8367 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 5.1812 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 5.2904 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 6.6070 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 7.8035 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 8.2138 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 7.2577 1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 6.3374 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 5.2674 2.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 4.4151 1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 3.3061 2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1242 -2.4969 -4.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.1251 -5.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 -3.0659 -6.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1841 -0.7175 -5.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 -0.1204 -5.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 1.3625 -6.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 1.9958 -6.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 1.6984 -5.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 2.4083 -5.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 2.0003 -3.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 0.5605 -3.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -0.4113 -3.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 -0.3213 -1.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -0.8510 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -0.8266 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -1.3908 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -1.4239 2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -0.0536 3.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 0.7496 3.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 0.0254 5.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7521 -4.0311 8.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 -5.2242 7.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -4.5609 9.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -2.4557 8.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 -3.5162 7.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -2.0273 6.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -1.5139 6.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -4.1353 5.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 -2.6595 4.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -4.4329 3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 -4.3815 5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3783 -1.9615 4.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8666 -1.5973 2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6678 -3.5811 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 -4.1478 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -1.8491 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 -1.4405 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 -1.7186 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -3.0141 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 -3.2086 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8814 -5.4742 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -4.7673 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 -6.3193 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2544 -6.6341 -3.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -4.9839 -4.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -7.0128 -2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -6.5901 -4.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2912 -4.3933 -4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -4.3852 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -6.0974 -2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -6.0000 -4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0741 -3.5632 -4.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 -3.6529 -2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -3.7311 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -5.3047 -2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0561 -4.4655 -4.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1246 -4.2774 -3.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -5.3204 -2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 -1.6133 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 -0.4213 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 -1.8520 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5343 -0.6250 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -0.3870 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4839 0.9210 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0969 -0.3128 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 1.2133 3.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 0.6531 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 1.5121 3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 2.3446 0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 3.2190 2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 3.5466 2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 4.3358 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 1.5758 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 2.3737 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 2.7591 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 4.3031 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 2.3775 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6298 4.0257 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 3.0916 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 3.7949 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 6.0099 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 5.2388 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9312 4.5231 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 4.9233 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 6.7206 -1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 6.5219 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 7.9133 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 8.6913 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 8.7209 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 9.1269 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 6.5886 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7978 7.7910 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 5.9813 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 7.0003 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 4.6375 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2751 5.7801 3.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6243 4.0316 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 5.1125 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7567 2.4020 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3475 3.6117 3.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.0092 3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 -0.0569 -5.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 -0.6541 -6.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 -0.5805 -6.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 -0.2809 -5.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 1.5184 -7.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 1.8251 -5.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 3.0893 -6.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 1.6140 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 0.6073 -4.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 2.0549 -4.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 3.4775 -5.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 2.0767 -5.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 2.2465 -2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 2.6443 -3.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.2681 -4.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -1.4266 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 -0.9950 -2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.7086 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0201 -0.2810 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4018 -1.8823 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.4607 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 0.2263 0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0892 -2.4644 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 -0.8406 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -2.1138 2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -1.8681 3.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -0.0973 4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 0.4475 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 1.7715 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4618 0.8518 3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 0.8255 5.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.5122 5.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -0.6078 4.6479 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 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 2 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 6 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 69183 1 0 M END