HMDB0004670 RDKit 3D alpha-Dimorphecolic acid 53 52 0 0 0 0 0 0 0 0999 V2000 8.2084 1.7074 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 1.4051 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0147 0.1408 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 0.4267 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -0.8033 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 -1.0917 1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 -1.1019 1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 -0.8379 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 -0.8645 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.5867 0.1680 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4859 -1.8196 -0.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 -0.2205 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 0.1165 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 -1.0199 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -0.6150 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4487 -0.2627 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 0.1104 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7748 0.4872 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0639 0.8629 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6363 0.0618 -1.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6577 2.0941 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5737 2.5373 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2905 1.9596 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 0.7917 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7821 1.2331 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 2.2640 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -0.1342 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6324 -0.6842 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 1.1882 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 0.7959 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -0.7055 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5734 -1.6551 -0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -1.3151 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1017 -1.3299 2.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -0.6048 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -1.0830 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 0.1587 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 -2.0016 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 0.6599 1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -1.0554 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 0.4302 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 1.0308 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 -1.3031 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2521 -1.9022 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1598 0.3290 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -1.4156 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5814 -1.0718 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1861 0.6717 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5133 0.9585 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 -0.7493 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8976 -0.4202 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3675 1.3238 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0532 2.9096 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 6 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END