HMDB0045788 RDKit 3D TG(20:0/20:1(11Z)/O-18:0) 184183 0 0 0 0 0 0 0 0999 V2000 7.5258 -3.6459 1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -2.3125 2.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -1.5741 2.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -2.3571 2.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -1.6646 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.3395 3.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 0.4267 3.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.7193 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 1.5823 1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.3590 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8179 0.1773 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 0.4936 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 1.5823 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 2.0116 -2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 1.0290 -2.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0202 0.7027 -1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 1.9784 -1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9041 1.7573 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5151 3.0949 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5019 3.8639 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3412 3.3440 0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6542 5.1100 1.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 5.5806 1.8799 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7438 5.1735 3.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 3.8451 3.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3226 3.1677 4.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 2.9583 5.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 2.1104 4.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5675 0.7648 4.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 -0.0999 3.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3547 -0.3640 4.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 -1.2764 4.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -2.6094 3.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -3.5905 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 -3.1774 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 -4.2762 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -3.9204 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -5.0299 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 -4.6018 -1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -5.6976 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 -5.2841 -2.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -4.0780 -2.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 -3.7303 -3.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2248 7.0453 1.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 7.2053 2.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 6.7637 1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 6.3522 0.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 6.8021 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 6.4347 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 5.1097 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0133 4.6716 -1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 4.3987 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 3.9860 -2.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 3.5697 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 3.1855 -3.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 2.1513 -4.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 0.8254 -3.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8097 -0.0330 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3999 -1.4041 -4.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 -2.1974 -5.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3555 -3.5720 -4.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 -3.5371 -3.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2134 -4.9334 -3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -5.0613 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 -4.4492 -2.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -2.9677 -2.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -4.4290 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7714 -3.6107 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5303 -3.9109 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3376 -1.6847 2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7338 -2.4482 3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 -1.3462 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 -0.6237 2.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -2.5557 3.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -3.3625 2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 -1.5534 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 -2.3339 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 0.3057 3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -0.5410 4.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.4092 3.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -0.0829 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 1.3300 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.2415 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 2.5655 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 2.1354 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 -0.3125 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.5631 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 -0.4142 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.8080 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 2.4748 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 1.3701 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 2.1264 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 3.0333 -2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2328 1.4485 -3.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 0.1064 -2.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 0.0128 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 0.2039 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2859 2.2780 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 2.8348 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6364 1.1155 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 1.2388 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 2.8799 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8929 3.5759 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5706 5.0040 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 5.4183 3.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5602 5.8388 3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7575 2.1838 4.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1959 3.6907 4.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7368 3.8695 5.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5971 2.3865 6.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 2.0325 5.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6132 2.6553 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4654 0.7634 3.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 0.2250 5.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 0.3518 2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -1.0828 3.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 -0.8995 5.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 0.5710 5.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 -1.4677 4.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 -0.8336 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 -2.5019 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3922 -3.0923 4.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -4.5285 3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 -3.9408 4.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -2.9741 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -2.2864 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -4.5975 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1613 -5.1479 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 -3.7229 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 -2.9671 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 -5.9239 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -5.3279 0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -3.6920 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 -4.4063 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 -5.9969 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -6.6055 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -6.1309 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 -5.0286 -3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -3.1991 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6899 -4.2769 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -4.6278 -4.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6763 -3.0784 -3.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -3.1786 -4.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8524 7.5815 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3336 7.4896 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 6.1452 2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 7.8304 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 6.4070 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5386 7.2679 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8934 5.0760 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 4.3644 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 5.5210 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 3.8206 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 5.2750 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 3.6006 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 4.8215 -2.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 3.1349 -2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 2.7679 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 4.4314 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 2.9570 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4261 4.1214 -3.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 1.9350 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 2.6043 -4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 0.3938 -3.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 0.8576 -2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 0.5448 -4.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -0.0973 -5.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.3670 -3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 -1.9601 -3.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.6658 -5.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -2.1825 -6.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -3.9930 -5.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1757 -4.2043 -4.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 -3.0253 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 -2.9281 -4.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 -5.4526 -3.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -5.4954 -4.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -4.7270 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -6.1753 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 -4.9227 -3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1988 -4.7039 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -2.5722 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -2.5272 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -2.6203 -3.7826 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 1 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 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 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 41 42 1 0 42 43 1 0 23 44 1 0 44 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 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 6 79 1 0 7 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 23104 1 6 24105 1 0 24106 1 0 26107 1 0 26108 1 0 27109 1 0 27110 1 0 28111 1 0 28112 1 0 29113 1 0 29114 1 0 30115 1 0 30116 1 0 31117 1 0 31118 1 0 32119 1 0 32120 1 0 33121 1 0 33122 1 0 34123 1 0 34124 1 0 35125 1 0 35126 1 0 36127 1 0 36128 1 0 37129 1 0 37130 1 0 38131 1 0 38132 1 0 39133 1 0 39134 1 0 40135 1 0 40136 1 0 41137 1 0 41138 1 0 42139 1 0 42140 1 0 43141 1 0 43142 1 0 43143 1 0 44144 1 0 44145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 52154 1 0 52155 1 0 53156 1 0 53157 1 0 54158 1 0 54159 1 0 55160 1 0 55161 1 0 56162 1 0 56163 1 0 57164 1 0 57165 1 0 58166 1 0 58167 1 0 59168 1 0 59169 1 0 60170 1 0 60171 1 0 61172 1 0 61173 1 0 62174 1 0 62175 1 0 63176 1 0 63177 1 0 64178 1 0 64179 1 0 65180 1 0 65181 1 0 66182 1 0 66183 1 0 66184 1 0 M END