HMDB0000851 RDKit 3D Pyridinoline 58 58 0 0 0 0 0 0 0 0999 V2000 6.4132 -0.7949 0.9266 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 0.5541 0.6617 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4372 0.7610 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.1585 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 -0.2113 -0.6494 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3802 0.9906 -0.6955 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 -1.1670 -1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -1.1793 -0.8826 N 0 0 0 0 0 4 0 0 0 0 0 0 0.7109 -2.1091 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -2.2050 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -3.1696 1.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -1.2909 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 -1.4093 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -2.5773 0.4720 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8743 -2.3982 -0.9517 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 -2.6120 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9859 -2.7510 2.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 -2.4850 0.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 -0.3232 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 0.6967 -0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 1.8052 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2811 2.8922 -0.2275 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0244 3.4798 -1.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 3.9512 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 3.6229 2.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7453 5.2451 0.4966 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0543 -0.3089 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 1.0744 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 1.1674 2.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 1.4945 1.7986 O 0 0 0 0 0 1 0 0 0 0 0 0 5.6455 -1.4958 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -0.7204 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 1.1452 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 1.8173 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 0.7656 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -1.2220 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 -0.0152 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 -0.5817 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 0.9462 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.1694 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 -0.7985 -2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 -2.8392 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -3.2665 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -1.5576 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 -0.5283 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1596 -3.5463 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -2.2376 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 -3.3315 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5676 -3.2750 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 0.3047 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 1.1483 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 1.4924 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 2.2927 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 2.4740 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 4.0814 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 4.0783 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 6.0088 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 0.4456 -1.9730 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 12 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 19 27 2 0 2 28 1 0 28 29 2 0 28 30 1 0 27 8 1 0 1 31 1 0 1 32 1 0 2 33 1 6 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 1 6 39 1 0 7 40 1 0 7 41 1 0 9 42 1 0 11 43 1 0 13 44 1 0 13 45 1 0 14 46 1 6 15 47 1 0 15 48 1 0 18 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 6 23 55 1 0 23 56 1 0 26 57 1 0 27 58 1 0 M CHG 2 8 1 30 -1 M END