HMDB0040901 RDKit 3D 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 58 57 0 0 0 0 0 0 0 0999 V2000 7.8609 0.6870 1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 1.1480 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9015 1.9585 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 1.1741 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0512 -0.0582 -1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 0.2220 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 0.8554 0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.0778 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 -1.0596 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -2.2435 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -3.3343 -0.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 -2.1341 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 -1.1334 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 -0.8564 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 -0.3144 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 -0.0157 1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1621 1.0383 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 0.9640 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 2.0465 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7787 1.8363 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0619 0.8494 0.4265 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7696 2.8168 -0.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2157 -3.3955 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -3.8864 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5541 1.3162 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9573 -0.3566 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 0.8103 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7587 0.3062 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3689 1.8306 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 2.3740 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 2.8854 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 0.9845 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 1.8450 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4095 -0.7422 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -0.6188 -2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 0.8212 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 0.2326 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -1.9872 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 -0.0909 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5033 -1.8231 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -0.1773 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -1.4687 -1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2287 -1.8930 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 -0.3249 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 0.6819 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4538 -0.9193 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2367 0.2108 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 -1.0175 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1385 1.1313 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 2.0732 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 1.2698 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7789 -0.0060 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1175 3.0494 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5884 2.0690 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7862 3.6298 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -3.9631 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 -3.2648 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 -4.9549 1.1987 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 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 12 23 1 0 23 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 22 55 1 0 24 56 1 0 24 57 1 0 24 58 1 0 M END