HMDB0033712 RDKit 3D Glycyrin 50 52 0 0 0 0 0 0 0 0999 V2000 3.0838 -0.2526 4.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 0.0932 3.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 0.1166 2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 -0.2208 2.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 -0.2001 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -0.5129 2.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 -0.5023 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -0.8143 2.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 -0.1645 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -0.1798 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -1.1560 -1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4759 -1.1802 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4329 -0.2326 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6583 -0.2523 -2.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2053 0.7622 -0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 0.7787 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7613 1.7694 1.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 0.1770 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 0.1501 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 0.4925 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 0.8426 -1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 -0.0152 -2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 0.4737 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2661 0.8182 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 1.1808 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 0.5028 -1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 -0.6596 -1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4837 0.8592 -3.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -0.5076 4.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 0.5531 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 -1.1400 4.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 -0.5028 3.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5464 -1.9114 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -1.9555 -2.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4332 -0.7779 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9921 1.4874 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 1.8480 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 0.4479 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 0.5682 -3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 -0.9042 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -0.2898 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 1.6215 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -0.0763 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 2.0035 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.3612 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -1.4470 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -1.1387 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 0.1582 -3.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 0.7050 -3.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 1.9142 -3.3995 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 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 9 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 23 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 23 3 1 0 19 5 2 0 16 10 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 22 39 1 0 22 40 1 0 22 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 27 45 1 0 27 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 28 50 1 0 M END