HMDB0258204 RDKit 3D Secoxyloganin 52 53 0 0 0 0 0 0 0 0999 V2000 -0.4189 -1.1820 -2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 -0.2552 -1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.5312 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 0.4304 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.5762 -0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 0.1576 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -0.9215 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 -1.0316 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 -2.4495 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -2.8646 -0.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 -0.0616 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 -0.4098 -1.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 1.2955 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 2.2315 0.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8837 1.2888 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 2.4899 0.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 1.7080 0.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 1.9593 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 0.9942 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 1.3430 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3848 0.4570 -0.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0248 2.6296 0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3808 2.9938 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 -0.4111 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -1.2491 1.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -2.6940 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -3.1679 1.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -3.5823 0.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.1368 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -0.9668 -3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 0.7189 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -1.5487 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 0.0090 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 -0.1968 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -0.7272 1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -2.5255 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.1070 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -3.1348 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 -0.0088 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 -0.6784 -1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.6075 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 3.1255 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 1.2451 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 3.2350 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 2.9869 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0879 2.2131 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5788 3.2870 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5115 3.9547 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 -0.8017 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 -1.1157 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 -0.8858 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -4.2918 -0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 3 1 0 15 6 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 6 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 28 52 1 0 M END