HMDB0050477 RDKit 3D TG(20:1(11Z)/18:1(11Z)/20:2n6) 177176 0 0 0 0 0 0 0 0999 V2000 5.6201 2.5349 -4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 2.7301 -2.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 1.4710 -2.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 1.7183 -1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1782 0.4956 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 0.2606 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 0.2660 -2.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 0.5292 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 -0.6905 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -1.4242 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 -1.1279 1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5243 -0.9540 2.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 0.2009 2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4009 0.4239 3.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 -0.8220 3.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1037 -1.1750 2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8424 -2.4545 3.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7646 -2.8622 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 -3.0265 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -4.0399 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 -4.8197 1.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 -4.1744 -0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9553 -5.0921 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 -4.6947 -1.7238 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1743 -4.6943 -2.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 -4.1657 -4.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3737 -4.0696 -5.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5765 -4.4771 -5.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -3.5493 -6.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 -2.2652 -6.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -1.1860 -5.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1589 0.0125 -6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 1.2233 -5.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 1.1157 -3.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 2.5160 -3.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 2.5779 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 4.0293 -1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5211 4.2394 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 4.6694 0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 5.0039 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 6.4283 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 7.0349 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6103 6.5498 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 5.2015 0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 4.7652 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 4.7280 2.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 3.7954 3.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 -5.4611 -1.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 -4.8756 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -3.6359 -1.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 -5.5830 -2.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -4.6098 -1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 -5.1203 -1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0045 -4.1068 -1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 -3.7938 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -2.7629 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 -2.4745 1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8826 -1.4355 2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7468 -1.2387 3.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6745 -0.2365 4.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2714 0.8317 4.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8241 1.1103 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 1.2032 6.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0755 1.4681 6.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.5203 6.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 0.0018 5.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 -0.9100 5.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 1.5132 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 3.3022 -3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 2.6422 -4.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 3.5741 -2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 2.9199 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5186 0.5778 -2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 1.4268 -3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 2.5339 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 1.9514 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -0.3622 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 0.6573 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.0478 -3.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 0.0754 -3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 1.3562 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 0.9184 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -1.0005 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -2.3406 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.2291 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -1.9970 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.7893 3.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -1.8644 2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 1.1004 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.0764 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 0.6186 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0598 1.2676 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -1.6712 4.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -0.5498 4.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 -0.3632 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 -1.3108 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4918 -2.2081 3.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1727 -3.2587 3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5373 -2.1025 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 -3.8178 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6918 -2.0615 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7791 -3.4178 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -6.1413 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3071 -5.0536 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9057 -3.6049 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 -5.7236 -3.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0667 -4.0885 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 -4.3283 -7.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 -3.3893 -6.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -2.4300 -6.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 -1.9267 -7.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -1.6308 -4.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -1.0190 -5.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2163 -0.3185 -6.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 0.2914 -7.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 2.0022 -5.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 1.6848 -5.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4816 0.9341 -3.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 0.3700 -3.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 3.2573 -3.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 2.8423 -3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 1.9519 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 2.3628 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 4.3249 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0274 4.6011 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5446 4.0157 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 4.8202 1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 4.6081 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 4.4236 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 7.1069 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 6.6570 1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 8.1472 0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 7.1684 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 6.6421 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 7.2457 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 4.3849 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 5.3009 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 3.7626 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 5.4579 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 4.3267 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 5.7555 3.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 4.1311 4.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 2.7755 3.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 3.6139 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -6.5165 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 -5.8330 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 -4.3861 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 -3.6346 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 -6.0904 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -5.2593 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 -4.5498 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -3.2085 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 -4.7109 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -3.4348 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 -1.8506 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9713 -3.1549 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 -3.4020 2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -2.0421 2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8951 -1.7703 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -0.5189 1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1219 -2.2341 4.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.1953 4.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7703 -0.4030 4.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 1.5602 5.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 2.2264 4.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 0.6341 4.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 0.3276 7.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 2.0529 6.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 1.6808 7.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 2.4912 6.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 1.0442 6.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9985 -0.3605 7.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 -0.7277 4.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 0.7270 4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -1.7372 5.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.3057 5.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 -1.3610 4.1779 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 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 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 2 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 24 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 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 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 12 88 1 0 13 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 1 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 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 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 47144 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 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