HMDB0029274 RDKit 3D Sanguisorbic acid dilactone 44 48 0 0 0 0 0 0 0 0999 V2000 7.3794 0.2552 -0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -0.0022 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 -0.6566 1.7675 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 0.3847 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 1.0295 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6518 1.4196 -1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 2.0655 -2.8022 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 1.1184 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 1.4789 -1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 0.4805 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 0.1545 1.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -0.5835 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -1.9421 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.5264 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -2.7193 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -4.0698 0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 -2.0953 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 -2.8117 0.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 -2.2889 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 -2.9870 -0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 -0.9374 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 -0.3161 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 1.0277 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8003 1.6215 0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 1.7630 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 3.1478 0.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 1.1757 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 1.8828 1.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 1.3388 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 2.0902 1.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 -0.0023 0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 -0.7624 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 -0.1693 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 0.1056 0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 -0.1523 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 1.2574 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 2.3781 -3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 1.9444 -2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 -3.5085 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 -4.5901 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2426 -0.9086 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9062 2.6042 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7491 3.7067 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0638 -0.4008 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 2 0 32 33 1 0 10 34 2 0 34 4 1 0 31 12 1 0 32 17 1 0 33 21 2 0 33 27 1 0 3 35 1 0 5 36 1 0 7 37 1 0 9 38 1 0 14 39 1 0 16 40 1 0 22 41 1 0 24 42 1 0 26 43 1 0 34 44 1 0 M END