HMDB0035909 RDKit 3D Glaucarubol 15-O-beta-D-glucopyranoside 77 82 0 0 0 0 0 0 0 0999 V2000 -4.9332 2.7658 -2.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8376 1.7749 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 1.9062 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6035 0.9637 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 1.6007 2.2053 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 0.6067 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 -0.3948 2.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.0927 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 -1.2763 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 0.7042 -1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 1.3743 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4203 1.2628 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 2.0412 -1.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 1.9475 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 2.9802 -0.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 0.6646 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 0.3228 -0.9505 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 0.3851 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -0.9477 -0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -1.0271 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0525 -2.1053 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 -1.7267 -0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 0.2596 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -0.0328 1.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 1.2060 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0977 1.0227 -0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7069 1.0976 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 2.2719 -1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 -0.4057 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 -1.0363 1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -1.6539 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 -2.2382 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -2.6395 2.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 -2.0044 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 -2.7804 0.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -2.3326 -0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 -1.1897 -1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -0.1241 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -0.5394 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 3.7111 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4469 2.3994 -3.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0184 2.9794 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3816 2.7081 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 0.0859 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8163 1.2205 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 1.4202 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 -0.0276 3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 -2.0442 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 -0.8839 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9417 -1.6246 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 0.0801 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 1.0298 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 2.4922 -2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 1.7744 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 0.8836 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 0.7015 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -1.4261 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -3.0609 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 -2.1794 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 -2.5381 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 0.7487 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3826 0.6640 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9036 2.2409 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7784 0.8382 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 0.4141 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 3.0131 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 -1.2646 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.3345 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -2.2544 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -2.3389 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.9017 1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 -3.0523 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 -2.0759 3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 -3.5300 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 -1.4356 -2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 -0.9196 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.1240 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 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 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 16 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 10 2 1 0 38 12 1 0 39 8 1 0 27 18 1 0 38 29 1 0 39 34 1 0 1 40 1 0 1 41 1 0 1 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 9 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 16 55 1 0 18 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 23 61 1 0 24 62 1 0 25 63 1 0 26 64 1 0 27 65 1 0 28 66 1 0 29 67 1 0 30 68 1 0 31 69 1 0 31 70 1 0 31 71 1 0 32 72 1 0 33 73 1 0 35 74 1 0 37 75 1 0 37 76 1 0 39 77 1 0 M END