HMDB0038776 RDKit 3D Medicarpin 3-O-(6'-malonylglucoside) 63 67 0 0 0 0 0 0 0 0999 V2000 -10.7342 -0.1172 -1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4573 0.2110 -1.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3476 0.0342 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4372 -0.4499 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3361 -0.6218 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1005 -0.3136 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9473 0.1697 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 0.3329 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 0.4122 -0.9988 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 0.7287 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 0.6369 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 1.7546 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 1.6317 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 0.3647 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 0.2959 0.3992 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 -0.8026 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 -0.6883 -0.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 -0.2532 -0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 0.3835 -1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 0.8432 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.0373 -1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2484 -1.1969 -0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7593 0.6548 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6163 0.4414 -2.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1568 -0.1783 -3.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9147 0.9378 -2.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.7788 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 1.9320 0.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 0.1255 1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.2907 2.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -1.0168 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.2263 2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 -0.7052 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 -0.6221 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 -1.7076 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1745 -1.7397 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7067 -0.3770 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4694 -0.1310 -2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7189 -1.1392 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0618 0.5778 -0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4357 -0.6991 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4116 -1.0048 2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9751 0.7133 -2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 1.6864 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 2.7492 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 2.5103 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -1.7205 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 -1.1170 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 1.2777 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -0.3183 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6128 1.7398 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 0.1557 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0204 1.9421 -2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6245 1.0584 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 2.2803 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 0.9223 2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2863 -1.2810 2.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -1.9216 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 -0.5875 2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -1.6975 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8676 -2.3776 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 -2.2596 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7223 -0.1640 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 18 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 14 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 8 3 1 0 37 10 1 0 37 6 1 0 34 11 1 0 31 16 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 5 42 1 0 8 43 1 0 10 44 1 0 12 45 1 0 13 46 1 0 16 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 23 51 1 0 23 52 1 0 26 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 31 58 1 0 32 59 1 0 33 60 1 0 36 61 1 0 36 62 1 0 37 63 1 0 M END