HMDB0037370 RDKit 3D Salvianolic acid L 82 86 0 0 0 0 0 0 0 0999 V2000 2.3144 -1.2311 0.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -1.5744 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -1.6587 -1.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 -1.4915 -1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4172 -0.0199 -1.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 0.8996 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 1.6396 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 2.4643 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 2.5529 1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 3.3845 2.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 1.7873 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7254 1.8687 2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 0.9718 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -2.3059 -2.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9343 -2.2334 -2.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 -3.1574 -3.3865 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -1.8824 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -2.2882 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -2.6035 -1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 -3.1584 -3.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -3.5733 -3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 -3.4695 -2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2991 -3.9172 -2.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -2.9158 -1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 -2.7715 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 -2.4815 -0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -1.7626 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 -0.3936 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 -0.2358 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 0.6910 0.7693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 2.0194 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 2.7799 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 4.1421 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 5.1903 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0257 6.4397 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 6.8026 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 8.0900 -1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 5.7945 -1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 6.0803 -2.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 4.4923 -1.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 2.6714 1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 3.7747 1.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 2.1843 3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -1.7118 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 -2.7076 1.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 -2.5626 3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -3.5232 4.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 -4.6438 3.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0033 -5.6171 4.5424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -4.8001 2.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 -5.9241 1.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -3.8663 1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -1.5751 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 0.2730 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 0.0210 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 1.6450 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 3.0770 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1407 3.4333 3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 1.2891 2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 0.3423 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -2.9681 -3.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 -2.3814 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -3.2385 -3.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -4.0197 -4.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0123 -3.8629 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 -2.4036 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -2.2515 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 2.0519 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 2.6312 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 2.2607 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 4.9157 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 7.2555 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 8.8806 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 5.3655 -3.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 3.7220 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 1.5831 3.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2557 -0.7001 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 -1.7020 3.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -3.3871 5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 -6.4606 4.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -6.0652 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -3.9704 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 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 1 0 11 13 2 0 4 14 1 0 14 15 2 0 14 16 1 0 2 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 0 31 41 1 0 41 42 2 0 41 43 1 0 27 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 2 0 13 6 1 0 44 17 1 0 52 45 1 0 26 19 1 0 40 33 1 0 4 53 1 0 5 54 1 0 5 55 1 0 7 56 1 0 8 57 1 0 10 58 1 0 12 59 1 0 13 60 1 0 16 61 1 0 18 62 1 0 20 63 1 0 21 64 1 0 23 65 1 0 25 66 1 0 27 67 1 0 31 68 1 0 32 69 1 0 32 70 1 0 34 71 1 0 35 72 1 0 37 73 1 0 39 74 1 0 40 75 1 0 43 76 1 0 44 77 1 0 46 78 1 0 47 79 1 0 49 80 1 0 51 81 1 0 52 82 1 0 M END