HMDB0047568 RDKit 3D TG(24:0/18:3(9Z,12Z,15Z)/20:2n6) 187186 0 0 0 0 0 0 0 0999 V2000 -7.6548 2.2731 -1.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8313 2.2089 -3.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2003 0.8333 -3.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5304 0.0488 -4.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 0.4402 -5.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5347 0.1212 -6.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 0.8969 -7.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3147 2.3288 -7.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 3.2049 -6.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 3.9208 -6.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 3.8947 -7.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 3.3891 -6.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 4.3141 -5.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3388 3.9238 -4.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 2.6128 -3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 2.1522 -2.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0977 0.8345 -2.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 0.4015 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.0966 -0.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -0.7199 -0.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 -1.0299 0.7117 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2599 -2.4263 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 -2.5290 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 -3.7383 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -4.7763 -0.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 -3.9297 -2.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 -2.6593 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 -2.5696 -4.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -3.5341 -5.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 -4.9263 -5.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -5.0923 -6.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -4.3967 -5.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 -4.5959 -4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6981 -3.6993 -3.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8748 -3.9809 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 -4.3313 -4.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3351 -4.4974 -2.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8516 -5.8553 -2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 -6.0952 -2.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9661 -5.0185 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3825 -4.8650 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2070 -5.8994 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 -7.2842 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3894 -7.4279 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -0.9956 2.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 -1.9653 2.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 -2.1153 3.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9471 -1.3026 4.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 -3.1976 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 -3.3026 5.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9902 -2.4657 5.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9726 -1.0014 5.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 -0.1870 4.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 1.3066 4.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 1.7924 5.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 3.2255 6.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 3.6760 7.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 4.0540 6.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 5.3334 6.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 6.1493 4.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4648 5.7659 3.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 4.8461 2.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 5.5020 2.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 4.6149 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 5.3608 2.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 5.8902 3.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2132 4.9356 4.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 3.9756 3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 3.0209 5.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 3.7381 6.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 4.5655 5.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8025 2.9307 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6075 2.5367 -1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3836 1.2617 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9426 2.6102 -3.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6743 2.8872 -3.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1265 0.4638 -3.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8632 -1.0127 -4.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5114 -0.2942 -4.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 1.4560 -5.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7346 -0.9821 -6.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7286 0.3417 -8.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2283 2.7581 -8.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 2.4714 -8.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9994 3.3696 -6.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0929 4.5701 -5.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 3.2795 -8.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 4.9511 -7.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 3.3379 -6.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 2.3701 -6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 5.3478 -5.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3505 4.4242 -4.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 4.7150 -3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 3.9312 -4.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 1.8540 -4.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 2.6664 -3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5453 2.9597 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 2.0324 -3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 1.0449 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 0.1114 -2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5886 -0.2856 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 -2.6798 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -3.1115 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 -4.5188 -2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -4.5929 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -2.2248 -3.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 -1.8861 -2.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 -2.4887 -4.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -1.5343 -5.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -3.6507 -5.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2461 -3.1258 -6.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -5.5829 -6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 -5.3821 -4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -6.2203 -6.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -4.9515 -7.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -3.3156 -6.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 -4.8428 -6.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 -5.6164 -4.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 -4.3380 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -3.5948 -2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 -2.6533 -4.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7936 -3.8912 -5.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 -4.5306 -5.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9533 -3.6526 -2.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 -4.4031 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 -6.6777 -2.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2608 -7.1735 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9861 -5.1762 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6422 -4.0642 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 -4.6330 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9767 -3.8954 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3773 -5.5384 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2679 -5.9077 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4499 -7.8109 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6906 -7.8836 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9351 -8.3995 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5087 -7.4216 2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6645 -6.6441 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 -1.2352 2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 0.0250 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 -3.1233 3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -4.1986 3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -3.4516 5.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3942 -4.3894 5.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 -2.8584 6.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0203 -2.7746 5.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -0.6926 6.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -0.7059 6.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 -0.1889 3.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0318 -0.4417 3.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5802 1.8727 4.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1242 1.2173 5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 1.1627 6.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 1.6617 4.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 3.3945 6.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 3.8615 5.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 4.4871 7.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 2.8140 7.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 3.9770 7.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8638 3.1974 6.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 6.1003 6.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 5.3186 6.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3438 6.6533 5.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 7.1096 5.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4817 5.2704 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 6.6660 2.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7713 4.7510 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3889 3.8512 3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 5.8893 3.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 6.4267 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 4.2738 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 3.7213 2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 6.1921 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 4.7007 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 6.6368 3.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 6.5079 3.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 5.5162 5.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 4.3832 4.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 4.6171 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 3.3676 3.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 2.3095 4.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 2.4090 5.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 2.9523 7.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3231 4.3044 6.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 4.4370 6.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 4.3459 5.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 5.6469 6.0586 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 1 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 2 0 24 26 1 0 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 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 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 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 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 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 1 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 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 70183 1 0 70184 1 0 71185 1 0 71186 1 0 71187 1 0 M END