HMDB0011571 RDKit 3D MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0) 59 58 0 0 0 0 0 0 0 0999 V2000 -8.2083 -2.6226 -1.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1116 -2.8436 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3247 -1.8116 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3921 -0.9283 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 -0.8084 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 0.5567 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 1.4586 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0945 1.2081 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 2.1652 1.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2745 2.9797 1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 3.0703 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 2.7815 2.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 1.8076 2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 0.8786 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 1.0079 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 0.0752 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.2711 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8259 -0.0474 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 0.8403 0.2761 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 -1.3097 -0.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -1.6501 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -0.8455 0.3297 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5169 -1.2562 1.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 -1.1382 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 -2.5304 -1.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9779 -3.2155 -2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1520 -3.0032 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 -1.5579 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -3.8311 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -2.8837 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2777 -1.7696 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6094 -0.1799 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9986 -1.4970 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -1.0242 0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7913 0.7647 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1706 2.4326 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 0.1676 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 1.3621 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1887 2.1753 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 3.6693 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 4.2069 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 2.6122 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 3.4559 3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6965 1.6817 2.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 -0.1790 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 0.8974 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 2.0169 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0603 0.7089 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -1.0006 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.3085 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 -0.3192 -2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 1.3780 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5689 -2.7467 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 -1.5348 1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4415 0.2441 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6836 -0.4955 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1287 -0.5817 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 -0.8242 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8756 -2.7469 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 22 24 1 0 24 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 21 53 1 0 21 54 1 0 22 55 1 6 23 56 1 0 24 57 1 0 24 58 1 0 25 59 1 0 M END