HMDB0035249 RDKit 3D Taraxinic acid glucosyl ester 58 60 0 0 0 0 0 0 0 0999 V2000 -2.5694 3.6451 3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 2.5266 3.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 1.4307 3.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 1.1510 4.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3864 0.7290 2.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6569 0.8759 1.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 1.1729 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 0.7133 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7192 1.1043 -1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 -0.1993 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 0.5291 -2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 0.1961 -1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 0.8503 -0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8876 0.4240 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 1.0705 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -0.6416 -1.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -1.0010 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 -2.3014 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -2.4691 0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -3.7477 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -3.6174 2.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1849 -2.5150 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 -1.7810 -0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 -1.9338 -1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 -1.2587 -2.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 -1.0071 -1.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 0.3206 -2.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 1.9869 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 1.6819 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 2.1185 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 3.8757 4.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0399 4.3763 3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -0.0313 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4604 1.8602 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2638 1.9728 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 1.4394 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4446 0.2827 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -0.8209 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1075 -0.9467 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 1.5805 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 0.2037 -3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 -0.6643 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 -0.3503 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -1.6345 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 -4.6404 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -3.8097 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -2.8240 2.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -3.5699 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3911 -1.8375 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5831 -2.7806 -2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5624 -1.9463 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -1.2215 -2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 0.4088 -3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 2.4742 -0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3055 2.7887 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 2.2178 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 0.5878 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 2.9560 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 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 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 13 28 1 0 28 29 1 0 29 30 1 0 30 2 1 0 30 6 1 0 26 17 1 0 1 31 1 0 1 32 1 0 6 33 1 0 7 34 1 0 9 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 17 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 29 56 1 0 29 57 1 0 30 58 1 0 M END