HMDB0038660 RDKit 3D Dihydrophaseic acid 42 43 0 0 0 0 0 0 0 0999 V2000 2.5600 -1.5447 1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 -0.5804 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 -0.3882 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 0.5007 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 1.2435 -1.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 0.5654 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 0.1105 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -0.0786 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 0.6378 -0.3781 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2597 1.7499 -1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 1.0685 0.5961 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3532 2.2442 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 1.3404 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 0.4166 -1.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -0.2333 -1.2920 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8280 -0.4425 -2.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -1.5406 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -1.2488 0.6070 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8059 -2.3609 1.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -0.1012 1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -1.1693 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -1.7649 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 -2.4970 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 -0.9594 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 1.2529 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 0.8135 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -0.7771 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 1.5675 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 3.1904 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 2.1901 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9898 2.2605 2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 1.3813 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 2.3578 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.6614 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -1.2813 -3.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 0.4653 -3.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 -2.0389 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -2.1719 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 -0.9846 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0445 -2.3787 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -0.4074 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.2545 2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 1 6 9 11 1 0 11 12 1 1 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 15 9 1 0 20 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 10 28 1 0 12 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 18 39 1 6 19 40 1 0 20 41 1 0 20 42 1 0 M END