HMDB0110358 RDKit 3D TG(19:0/16:0/a-21:0)[rac] 179178 0 0 0 0 0 0 0 0999 V2000 2.8891 -6.3684 5.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -5.3955 6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 -3.9815 6.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -3.4181 5.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -3.3672 6.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 -4.6503 6.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 -4.4236 7.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -3.7356 6.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -3.5245 6.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 -2.7857 5.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7608 -3.5557 4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5416 -2.8073 3.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5174 -3.6959 2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2139 -3.0275 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -1.7409 0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1426 -1.0529 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3569 0.2176 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8592 1.0011 -2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9714 2.2200 -2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 2.9629 -3.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 2.5398 -1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 3.6167 -1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 3.4922 -2.1057 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2445 4.6745 -1.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 4.6782 -2.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 4.8235 -4.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 4.9610 -4.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 4.8152 -5.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 5.0947 -6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 5.0688 -7.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 5.9707 -7.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 5.8772 -6.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 4.4976 -6.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 4.3185 -5.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 4.6256 -4.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 4.4377 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 4.6404 -2.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 5.9302 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 6.5180 -1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 5.6200 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 5.3923 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 4.5313 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 4.2343 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 3.3785 2.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 3.4179 4.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 3.2938 2.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 2.8071 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4994 2.2815 -1.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 1.3498 -2.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 1.5427 -4.0448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8108 0.0358 -2.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 -0.8006 -4.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 -2.1290 -3.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -2.9879 -5.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -4.2990 -5.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -4.4286 -4.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5698 -4.1804 -3.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 -5.0537 -2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 -5.1881 -1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 -3.9680 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 -4.3833 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 -3.3788 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 -2.0842 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -1.1342 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 -0.8429 2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -7.2571 5.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -6.7299 5.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -5.9224 4.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 -5.5899 7.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -5.7268 7.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 -3.3751 7.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 -3.7382 6.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -2.3097 5.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -3.8092 4.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -2.7485 5.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 -2.7406 7.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 -5.3551 5.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3192 -5.1454 7.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 -5.4016 7.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 -3.7883 8.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 -4.3681 5.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -2.7425 5.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -3.0978 7.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 -4.5502 6.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7267 -2.6665 6.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 -1.7404 5.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7211 -3.6165 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -4.5325 4.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5684 -2.5718 3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9714 -1.8531 3.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4646 -3.9117 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0539 -4.6153 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 -2.8216 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1179 -3.7118 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6267 -1.0070 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 -1.9219 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -1.6916 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -0.7843 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 0.8945 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -0.0144 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7769 0.4652 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9048 1.2966 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7495 4.6097 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 3.6067 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 3.5337 -3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 4.5964 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 5.6040 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 5.6662 -4.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 3.8780 -5.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 6.1014 -6.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 4.3608 -6.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 5.1220 -8.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 3.9713 -7.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 5.9431 -8.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 7.0325 -7.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 6.3530 -5.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 6.5391 -7.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 3.7620 -6.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 4.2218 -7.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 3.2866 -6.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 5.0524 -6.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 5.6527 -4.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 3.9152 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 3.3663 -3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7727 5.0829 -4.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 3.7983 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 4.3686 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 6.7060 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 5.9954 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9718 6.9351 -2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 7.4522 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 4.6362 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 6.1572 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 5.1556 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 6.4155 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 5.0985 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 3.6009 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 3.8412 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 5.2279 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 2.2459 2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 4.4627 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 3.2430 4.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 2.7268 4.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 2.5742 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 4.2695 2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 2.6964 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 3.4275 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 1.7760 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -0.4355 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 0.2792 -2.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0663 -1.1219 -4.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 -0.3261 -5.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7906 -1.8344 -3.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -2.6041 -3.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -3.2323 -5.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -2.4282 -5.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 -4.9752 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0555 -4.7972 -6.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -5.4907 -5.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -3.8194 -5.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -4.3365 -4.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -3.1204 -3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -6.1228 -2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -4.9404 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 -6.0280 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -5.5930 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.8286 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8296 -3.0522 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -4.7914 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -5.2755 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -3.2614 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -3.8465 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 -1.5786 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -2.1601 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.2000 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 -1.6214 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 0.0996 2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 -0.7427 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -1.6458 3.2330 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 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 2 0 49 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 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 18101 1 0 18102 1 0 22103 1 0 22104 1 0 23105 1 6 24106 1 0 24107 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 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 45141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 47148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 65179 1 0 M END