HMDB0037352 RDKit 3D Caryatin glucoside 62 65 0 0 0 0 0 0 0 0999 V2000 0.0544 0.1531 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6662 1.2277 2.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 1.1165 2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 0.6517 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 0.2281 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.5568 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 0.0682 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -0.7504 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 -1.2958 -3.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.9923 -3.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -1.2606 -2.5479 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6687 -0.1287 -2.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9596 -0.3414 -1.8921 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5435 1.0108 -1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8472 0.8170 -1.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.9279 -2.9704 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8809 -1.6526 -2.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -1.8070 -3.8426 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4173 -1.1355 -4.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -2.3857 -3.0474 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3037 -3.0550 -1.9081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 -1.1133 -2.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -1.9479 -3.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -0.6218 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 0.5499 0.8595 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7447 0.8960 1.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1131 0.7925 1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0311 1.1670 2.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4155 1.0405 2.2232 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5891 1.6494 3.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2007 1.7621 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 2.2136 5.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 2.6989 6.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 1.3761 2.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 1.4985 3.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 1.9325 4.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 -0.3455 3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 0.5319 3.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -0.6098 2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 1.2298 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 0.4197 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -2.4173 -3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 -0.9532 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 -1.6690 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -0.9933 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5636 1.6941 -2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 1.4585 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 1.5401 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 -0.1085 -3.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6679 -1.0628 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6008 -2.6781 -4.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6611 -1.6398 -5.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 -3.0559 -3.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -3.2650 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5448 -2.3328 -3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 -0.9228 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 0.4094 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8208 0.1311 2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2504 1.9525 4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7642 3.1923 6.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 3.5048 6.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5978 1.9987 7.1621 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 1 0 22 23 1 0 22 24 2 0 4 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 2 0 34 35 1 0 35 36 2 0 35 3 1 0 24 5 1 0 34 26 1 0 20 11 1 0 1 37 1 0 1 38 1 0 1 39 1 0 6 40 1 0 7 41 1 0 9 42 1 0 9 43 1 0 11 44 1 1 13 45 1 1 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 6 17 50 1 0 18 51 1 6 19 52 1 0 20 53 1 6 21 54 1 0 23 55 1 0 24 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 33 60 1 0 33 61 1 0 33 62 1 0 M END