HMDB0039926 RDKit 3D Lyoniresinol 9'-sulfate 62 64 0 0 0 0 0 0 0 0999 V2000 3.7467 0.8748 -3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 0.4367 -1.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 0.2184 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 0.4096 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 0.1838 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 0.3802 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 -0.8147 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2535 -0.4911 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -1.5118 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -2.8426 1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 -3.8600 1.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0349 -3.4957 1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 -3.1167 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -4.4038 0.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4767 -2.1138 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8485 -2.4443 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 -2.7626 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 0.9446 0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 1.4474 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 0.7475 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 1.0422 -1.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 1.2822 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 2.6820 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4802 3.4650 -1.5195 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 5.0360 -1.4984 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.4479 5.7010 -2.7667 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 5.0644 -1.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 5.9233 -0.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 -0.2373 1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -0.4364 1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -0.8607 2.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 -1.1015 3.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 -0.2034 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 -0.4011 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 0.0619 -3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 1.2025 -3.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 1.7193 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.7384 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.9887 1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2018 -1.2648 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1438 -2.7242 2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4507 -3.0055 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 -4.3683 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 -5.1605 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -3.7829 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -2.7922 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -2.0572 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 1.5496 1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 1.0700 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 2.5167 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 1.1618 -2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 -0.3361 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 1.8286 -2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.9021 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 3.0821 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 2.6974 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 5.4500 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 -0.4188 2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 -2.0091 3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2744 4.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 -0.2780 4.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -0.2388 -0.4184 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 8 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 5 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 2 0 33 34 1 0 33 3 1 0 22 6 1 0 15 7 2 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 6 39 1 0 9 40 1 0 12 41 1 0 12 42 1 0 12 43 1 0 14 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 28 57 1 0 29 58 1 0 32 59 1 0 32 60 1 0 32 61 1 0 34 62 1 0 M END