HMDB0041773 RDKit 3D Salvianolic acid D 37 40 0 0 0 0 0 0 0 0999 V2000 -4.8200 2.9075 -0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 2.1557 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 2.1747 1.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1062 1.2894 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 -0.1657 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 -1.0150 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 -2.3804 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 -3.3194 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 -2.9134 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -3.9208 -0.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -1.5569 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.6033 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 0.8343 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 1.5451 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 1.0706 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 2.1277 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 1.9134 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 0.6113 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9012 0.3346 0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -0.4440 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 -1.7092 0.1806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -0.2375 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 -1.4058 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 1.7314 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 2.9111 0.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 1.3247 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0935 1.4315 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 -0.2704 0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -0.5707 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4619 -2.7573 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -4.3971 -0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 -3.7807 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 2.6221 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3335 3.1421 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 2.7401 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 1.0879 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.5077 0.0773 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 13 24 1 0 24 25 2 0 24 4 1 0 12 6 1 0 22 15 1 0 23 11 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 21 37 1 0 M END