HMDB0001999 RDKit 3D Eicosapentaenoic acid 52 51 0 0 0 0 0 0 0 0999 V2000 -8.2536 -1.9837 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5264 -1.0591 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0615 0.0941 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8148 0.4167 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7111 -0.3325 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -0.7899 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 -0.4088 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 0.5012 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 1.7538 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 2.0973 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 1.3804 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 1.0367 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0926 1.4612 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 2.3170 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 1.8924 1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 0.7745 1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -0.4602 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 -0.8164 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -2.1319 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -2.2120 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1907 -3.3712 -2.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 -1.1503 -2.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5558 -2.7782 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0566 -2.5265 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5770 -1.4240 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8121 -1.6214 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3833 -0.7063 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 0.7165 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5643 1.2965 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 0.1713 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0792 -1.3188 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -1.4686 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8727 -0.7651 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 -0.1031 0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 0.7128 1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 2.3753 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 3.0307 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 0.5376 1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 2.1403 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 0.3960 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 1.1672 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 2.9386 1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 3.2045 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 2.7236 2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 0.7151 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -1.3310 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -0.5213 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6256 -0.0252 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 -0.8106 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 -2.9075 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3689 -2.4607 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 -0.3675 -2.5760 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 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 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 22 52 1 0 M END