HMDB0262229 RDKit 3D PE(20:3(6,8,11)-OH(5)/20:3(5Z,8Z,11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 4.1994 -4.8675 -1.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7313 -5.6028 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 -5.0771 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 -3.7771 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -3.4733 1.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -3.3374 1.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 -2.1677 1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -1.6934 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9604 -0.7260 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 0.4676 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 1.3394 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 2.5648 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5593 3.1800 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 2.9628 1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 4.2966 1.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 4.5044 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 3.4628 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 3.8941 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 3.0081 1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 2.5047 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 2.3466 -0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 2.1867 -0.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 1.6333 -1.0373 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2991 2.3299 -2.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5108 2.9174 -3.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 3.4422 -4.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5487 3.3760 -4.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 4.0496 -5.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 4.0735 -5.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 4.8938 -4.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 4.9953 -4.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 5.9461 -3.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 3.7680 -4.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 2.7116 -3.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 1.4619 -3.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 0.4535 -3.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 -0.8750 -2.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -0.8469 -1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 -1.7239 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.5199 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -2.5316 1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -2.1846 3.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -0.8465 3.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -0.7532 3.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 0.5838 4.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.8433 5.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 2.1879 6.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 0.3549 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9963 -0.0735 -1.8151 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8205 -1.5276 -1.5027 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9364 -2.2694 -2.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3127 -1.1745 -0.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9517 -2.4816 -0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 -3.6301 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 -4.5183 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 -5.7191 -0.7707 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -3.9484 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -5.4599 -2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -4.6142 -1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -6.6468 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 -5.8655 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 -5.8713 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -5.0792 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -3.7322 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 -2.8991 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -4.1617 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 -2.4676 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 -3.3933 3.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 -4.2669 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 -1.3220 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 -2.4172 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 -1.1741 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -2.4886 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 -1.1814 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 0.9891 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 0.8698 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 1.5948 -1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 2.9828 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 4.1039 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 2.8396 2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 2.1962 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 5.2019 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 5.5501 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 2.5065 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 3.4422 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4989 4.0615 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 4.9616 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 3.4894 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 2.1237 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 1.1698 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9905 1.6350 -2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9683 3.1292 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1844 5.1045 -5.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2028 3.5482 -6.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9161 3.0444 -5.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 4.6000 -6.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 5.9343 -4.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 4.5709 -3.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 5.4386 -5.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 6.5007 -3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7895 3.7575 -4.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 2.7325 -3.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 1.3788 -3.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9087 0.5550 -2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -1.6806 -3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -0.8994 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 0.0101 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 -2.5771 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 -0.5202 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9407 -1.4471 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 -2.4599 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5495 -3.5768 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -2.1734 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 -2.9827 3.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -0.7403 4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 -0.0596 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -1.5641 4.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 -0.8422 2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 0.5734 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1321 1.4215 3.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 0.0483 6.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 0.9076 5.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 2.7852 6.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 2.7608 5.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 2.0585 6.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0917 0.5677 0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6298 -0.4491 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9559 -1.9292 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3052 -4.2215 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -3.3294 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8545 -3.9708 0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 -4.8582 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 -5.7715 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -5.6655 -1.7808 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 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 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 M END