HMDB0009977 RDKit 3D PIP(18:1(9Z)/20:1(11Z)) 153153 0 0 0 0 0 0 0 0999 V2000 6.3137 10.4497 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0912 11.4617 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 11.8941 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 10.6511 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 10.8919 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 9.5602 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2101 9.5150 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 10.2869 1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 9.8953 3.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 9.3466 4.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 9.0491 3.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 7.5384 3.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 6.9568 3.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 7.3332 2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4274 6.6433 1.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4186 5.1700 1.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6589 4.5073 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 4.9180 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 4.1120 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 2.6729 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 2.1544 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 1.8564 -0.8947 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 0.4992 -0.7930 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0957 0.2482 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 -1.1233 -0.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 -1.4708 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -0.4682 -0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.8459 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -3.3479 1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -4.7584 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3446 -4.7575 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1123 -5.9928 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 -7.2417 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 -8.2209 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -7.9586 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -8.0550 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -8.4819 1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -7.4548 2.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 -7.2454 1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5495 -6.2277 2.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -5.9776 2.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 -4.9599 3.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0213 -4.6595 2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -4.1406 1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.2387 -1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -1.6044 -1.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -2.2584 -3.3002 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9090 -1.1036 -4.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -2.9431 -2.7427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 -3.3803 -4.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 -3.5356 -3.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0152 -4.9638 -3.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -5.5625 -2.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -5.7614 -4.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6739 -5.9953 -5.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 -5.1205 -5.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 -5.9204 -5.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 -3.7522 -4.6511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8778 -3.1917 -5.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 -2.9354 -4.7165 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9921 -4.3036 -4.5092 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 -2.0885 -5.8035 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2574 -2.1900 -3.2283 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -2.9722 -4.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -1.6057 -4.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3684 10.5186 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 9.4075 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 10.6540 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 12.3005 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3239 10.9554 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 12.2994 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 12.6727 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 9.9413 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 10.1375 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 11.6557 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 11.3379 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 8.9281 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 9.0528 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 8.4413 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 9.8843 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 11.3733 1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 10.3150 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 10.0892 3.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 9.0624 5.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6629 9.4560 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 9.4363 4.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 7.0842 3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 7.2719 4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 5.8758 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3951 7.3890 4.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 7.4184 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 8.4580 2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1607 6.9803 2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 7.0771 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5083 4.7883 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0514 4.7296 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7634 3.3810 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 4.6568 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 5.1234 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 5.9598 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 4.5922 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 4.2702 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 0.1160 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 0.6504 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 0.7936 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 -2.7917 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -3.5250 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -3.4561 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -2.6970 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -5.4629 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 -4.9750 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 -3.8898 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -4.3836 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -5.6585 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3317 -6.1756 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -7.8994 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 -7.0975 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -8.8500 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -9.0671 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 -7.6155 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5114 -7.8123 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -9.4114 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 -8.6809 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -6.4721 2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 -7.8217 3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4862 -8.1661 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 -6.8794 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -5.2388 2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 -6.6837 3.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 -6.9188 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -5.6151 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 -5.2798 4.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 -4.0153 3.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -3.9375 3.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 -5.6082 3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1425 -3.7279 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 -3.4021 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9524 -5.0055 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 0.2267 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -0.0971 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 -2.7573 -3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2018 -2.8991 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -5.0946 -2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -5.2872 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -6.7460 -4.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -6.9448 -5.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -4.9477 -6.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 -6.8666 -5.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -3.9249 -3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 -1.6464 -6.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -1.2036 -3.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -3.0821 -5.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -1.1497 -4.7969 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 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 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 64 1 0 64 65 1 0 64 51 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 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 1 24104 1 0 24105 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 34119 1 0 35120 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 44136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 49141 1 0 51142 1 1 52143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 1 62150 1 0 63151 1 0 64152 1 0 65153 1 0 M END