HMDB0038347 RDKit 3D Methylpicraquassioside A 53 55 0 0 0 0 0 0 0 0999 V2000 -3.3972 3.4413 -1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 3.1621 -0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 1.9093 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 1.1369 -0.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 1.7306 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 0.4910 1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.7843 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -1.0800 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.1042 0.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 -0.1451 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 0.1078 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 0.0843 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -0.3536 1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 -1.6231 1.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 1.4760 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 1.4146 -1.5114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 2.0584 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 3.0020 -1.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 0.9214 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 1.3593 -1.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 -2.2855 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 -3.2371 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 -4.4531 -0.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -5.0153 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -4.1192 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -2.9923 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -1.7458 1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 -1.5510 1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -1.0763 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 4.1916 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 2.5232 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 3.9019 -2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 2.5802 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 1.9758 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.5139 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 0.5283 2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -1.0933 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 -0.6359 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 0.3889 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 -0.2981 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5629 -2.2793 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 2.0679 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 1.7740 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 2.4816 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 2.5718 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 0.5198 -2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 2.3552 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7523 -2.5475 -0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -6.0142 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 -4.2083 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 -0.0208 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -1.7591 1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -1.2468 -0.1447 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 3 5 1 0 5 6 1 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 27 7 1 0 19 10 1 0 26 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 24 49 1 0 25 50 1 0 29 51 1 0 29 52 1 0 29 53 1 0 M END