HMDB0302610 RDKit 3D Aldobionic acid 44 45 0 0 0 0 0 0 0 0999 V2000 -4.8421 1.9924 2.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8966 1.1704 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 0.3281 3.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 1.0782 0.8627 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0798 0.0890 1.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0624 0.0819 0.1110 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6120 -1.2102 0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7129 -1.4501 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -0.8450 -0.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5638 0.4976 -0.8793 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 1.1966 -0.3297 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0830 2.3886 0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 0.4919 0.7928 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5004 1.2085 1.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -0.9216 0.5009 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3352 -1.7020 1.6247 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 -1.4148 -0.7514 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9130 -2.8024 -0.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 0.3774 -1.2473 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8252 1.7372 -1.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 -0.2460 -1.1650 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0196 -1.4289 -0.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 0.7232 -0.3170 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2046 1.8318 -1.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0715 -0.5998 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5567 2.0778 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 0.8103 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 -2.5709 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 -1.1624 1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 -1.2153 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 1.4872 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 3.0108 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 0.6172 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1249 0.9840 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 -1.0517 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.4855 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 -1.0980 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.2024 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 -0.1552 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 2.1862 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 -0.3957 -2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -2.1728 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 0.2153 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4138 1.5490 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 6 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 4 1 0 17 9 1 0 3 25 1 0 4 26 1 6 6 27 1 1 8 28 1 0 8 29 1 0 9 30 1 6 11 31 1 6 12 32 1 0 13 33 1 1 14 34 1 0 15 35 1 6 16 36 1 0 17 37 1 6 18 38 1 0 19 39 1 6 20 40 1 0 21 41 1 6 22 42 1 0 23 43 1 1 24 44 1 0 M END