HMDB0303929 RDKit 3D Salvianolic acid C 56 59 0 0 0 0 0 0 0 0999 V2000 1.1075 0.0974 2.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -0.1099 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -0.2992 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 -0.2545 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.4315 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8824 -0.6672 -2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 -0.8249 -3.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 -0.7476 -3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -0.9013 -4.4818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -0.5108 -2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -0.3862 -1.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7622 -0.1628 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9239 0.0258 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 0.2556 1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 0.4340 2.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1299 0.3779 2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2525 0.5524 3.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3173 0.1482 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6146 0.0956 0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2108 -0.0225 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 -0.1383 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.3585 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -0.1531 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 0.0219 2.0809 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8177 1.2126 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 1.0464 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3107 1.4712 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1314 1.3253 -1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3688 0.7591 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1913 0.6163 -2.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 0.3312 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0324 -0.2516 -0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9485 0.4831 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -1.1830 2.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5343 -1.3255 3.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 -2.2264 1.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -0.4779 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -0.0700 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -0.7262 -2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3717 -1.0115 -4.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 -0.8585 -4.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 0.3025 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7372 0.6144 3.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1753 0.5101 2.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8086 -0.0671 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3817 -0.2003 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 0.0196 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 0.1992 3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 2.0738 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3729 1.4260 2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 1.9238 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 1.6535 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0956 0.1969 -2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 -0.5620 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3158 0.1401 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -2.1689 0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 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 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 12 21 2 0 21 22 1 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 22 5 1 0 33 26 1 0 22 10 2 0 20 13 1 0 3 37 1 0 4 38 1 0 6 39 1 0 7 40 1 0 9 41 1 0 14 42 1 0 15 43 1 0 17 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 24 48 1 1 25 49 1 0 25 50 1 0 27 51 1 0 28 52 1 0 30 53 1 0 32 54 1 0 33 55 1 0 36 56 1 0 M END