HMDB0049966 RDKit 3D TG(18:1(9Z)/22:1(13Z)/18:2(9Z,12Z)) 177176 0 0 0 0 0 0 0 0999 V2000 2.5912 -3.9153 2.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 -5.1739 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 -5.1907 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -3.9887 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.9569 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 -2.8516 -2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 -2.9457 -3.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 -4.1899 -4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -4.5086 -5.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -3.8268 -5.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -2.5096 -5.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -2.4167 -4.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -3.0984 -3.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -2.5934 -2.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -1.1337 -2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 -0.7349 -1.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -1.3469 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -1.1114 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 -1.8386 0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 -0.0690 1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 0.2359 2.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 1.4455 3.0396 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3366 1.1229 3.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 0.0818 4.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 -0.5488 4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6642 -0.1791 4.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 -1.6185 5.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 -2.9974 4.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 -3.0186 4.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 -2.6934 5.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -3.6278 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -3.1057 7.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 -2.8982 6.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 -2.3738 7.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -1.1873 6.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -0.3211 5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 0.0425 4.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 0.7797 5.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 1.2023 4.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8799 0.2458 3.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -0.8574 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9675 -1.8594 4.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 -2.9886 5.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 2.5059 2.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 3.6312 2.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 3.5913 3.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 4.8245 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 4.7265 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 4.3557 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 5.3063 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 5.0436 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 3.8164 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 2.4672 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3401 2.0287 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 2.6448 -2.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 1.9706 -4.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 2.6393 -5.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 4.0743 -5.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 5.0283 -4.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 4.9071 -4.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8344 5.5802 -4.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 5.2157 -6.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 3.9705 -6.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 2.6344 -6.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 2.3415 -7.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 0.8977 -7.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 0.6117 -8.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -4.1011 3.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 -3.6118 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -3.1101 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6782 -5.1957 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -6.0674 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -5.0208 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7796 -6.1432 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 -4.2525 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -3.1083 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6089 -3.7506 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -4.9567 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6991 -1.8126 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -1.9945 -4.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 -4.3965 -5.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 -5.0826 -3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 -5.5888 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.3756 -6.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -1.9299 -4.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.8811 -6.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -1.3184 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 -2.8444 -5.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 -4.1818 -3.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -3.1793 -3.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 -2.6955 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 -3.2538 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 -0.5511 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 -0.8621 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 0.3740 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -0.8976 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 -2.4526 -0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -0.9481 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -0.5828 3.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 0.5620 2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 1.6727 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 0.9029 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 2.0134 3.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 -1.4686 6.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -1.5976 6.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 -3.7806 5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -3.1722 4.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -2.3087 3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 -4.0223 3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 -1.6400 5.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -2.7665 4.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 -3.8320 6.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -4.6112 5.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -3.8914 7.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 -2.1368 7.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -3.9685 5.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 -2.4092 5.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 -3.0212 7.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -0.8578 7.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -0.5399 5.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 0.6988 6.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -0.8754 4.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 0.6732 3.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 0.3637 6.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 1.7967 5.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 1.8799 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 1.9629 3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 0.8825 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 -0.1462 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 -1.4340 3.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 -0.5175 4.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 -2.3922 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.4980 5.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 -3.7694 5.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 -2.5788 5.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4396 -3.4285 4.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 5.0938 2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 5.7168 2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 5.6734 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 3.9582 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 3.3251 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 4.4542 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 6.3288 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 5.3684 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 5.9388 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 5.2646 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 3.9589 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3132 3.7550 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 1.9865 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 1.8125 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1442 0.9014 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 2.0890 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 3.7275 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 2.4366 -2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 0.9049 -4.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2162 2.0352 -4.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1672 2.1456 -6.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 2.4290 -4.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 4.3436 -5.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 6.0759 -5.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 3.8347 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 5.4317 -3.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6449 5.6880 -3.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5142 6.6983 -4.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 6.0611 -6.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6766 5.3046 -6.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 4.0531 -5.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 4.0389 -7.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.3394 -5.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 1.8827 -6.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 2.9973 -7.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.4128 -8.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 0.6943 -6.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 0.2031 -7.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2641 -0.4081 -8.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 1.3955 -8.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 0.5735 -9.1641 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 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 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 2 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 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 21 99 1 0 21100 1 0 22101 1 1 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 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 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 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 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 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 59160 1 0 60161 1 0 60162 1 0 61163 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