HMDB0266528 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0) 79 78 0 0 0 0 0 0 0 0999 V2000 -8.5133 3.3089 1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3187 3.1827 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7701 2.6997 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 1.3381 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4548 0.3508 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0014 -1.0054 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5346 -2.0296 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4435 -2.1381 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 -1.0249 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3715 -0.8312 -1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 -1.7694 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 -1.1132 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 -1.0263 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -1.5206 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.5592 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.0404 1.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1223 -3.3770 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -4.3898 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 -2.9304 -1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 -2.0868 -1.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9085 -0.6922 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 0.0838 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 1.3057 -1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 -0.4855 -1.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7023 -0.0157 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3353 0.4815 -0.1395 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6982 1.7320 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 2.3357 1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 3.7425 1.9009 P 0 0 0 0 0 5 0 0 0 0 0 0 7.4942 4.9185 1.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 3.7684 1.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 3.8555 3.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 0.8939 -0.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7817 0.3237 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1866 0.6490 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -0.5459 0.9234 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4754 4.2714 2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4576 3.3127 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5733 2.4628 2.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5276 2.5469 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9145 4.2165 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4461 3.4364 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8814 2.6178 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3062 1.4672 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8721 1.0374 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4332 0.4938 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4322 0.7124 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8969 -1.1481 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0894 -2.9960 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8077 -2.7050 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7443 -2.9486 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1661 -0.2120 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 0.0651 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 -2.0601 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9509 -2.7309 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -0.7066 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 -0.5194 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -1.7390 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 -0.6164 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 -3.2764 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -1.1100 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3424 -4.0933 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 -4.7646 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 -2.5376 -2.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -3.9032 -2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 -2.5515 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -1.9853 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -0.5868 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -0.1331 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 -0.8691 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8648 0.8017 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 -0.2932 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 2.4384 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 1.4435 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0285 4.5124 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 3.1748 3.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6153 1.4208 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7793 -0.2917 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2983 0.9575 -1.4003 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 25 70 1 0 25 71 1 0 26 72 1 1 27 73 1 0 27 74 1 0 31 75 1 0 32 76 1 0 35 77 1 0 35 78 1 0 35 79 1 0 M END