HMDB0257470 RDKit 3D Salvianolic acid A 58 60 0 0 0 0 0 0 0 0999 V2000 1.6270 0.8603 -2.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 0.3022 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 0.3176 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -0.0933 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 -0.8178 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 -1.6336 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 -2.2591 2.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7665 -2.0903 2.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 -2.7268 3.9975 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 -1.2723 2.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 -1.1046 3.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 -0.6534 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 0.2866 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8679 0.4345 1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8037 1.4318 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0926 1.5638 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9795 2.4778 0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6543 3.3088 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5943 4.2156 -0.9501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 3.2044 -1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0652 4.0367 -2.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5002 2.2649 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -0.1824 -0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -0.1096 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -1.4704 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 -1.4390 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -1.3071 -2.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 -1.2850 -2.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1415 -1.3896 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -1.3689 -1.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6117 -1.5202 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4518 -1.6251 1.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -1.5435 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 0.7036 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1205 0.9106 0.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 1.2426 1.2901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 0.8689 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 0.0974 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.8293 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -2.8916 2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6569 -2.6439 4.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 -1.5242 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 0.9608 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2984 -0.1352 1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3616 0.9138 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9842 2.5546 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5105 4.2651 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 3.9637 -2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5285 2.2209 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5268 0.4190 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -2.1506 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 -1.9438 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2657 -1.2250 -3.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -1.1821 -3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9865 -1.2770 -2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4442 -1.6165 0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 -1.6468 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 2.1319 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 3 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 2 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 24 34 1 0 34 35 2 0 34 36 1 0 12 5 1 0 22 15 1 0 33 26 1 0 3 37 1 0 4 38 1 0 6 39 1 0 7 40 1 0 9 41 1 0 11 42 1 0 13 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 30 55 1 0 32 56 1 0 33 57 1 0 36 58 1 0 M END