HMDB0040681 RDKit 3D Melitric acid A 61 63 0 0 0 0 0 0 0 0999 V2000 2.9233 0.7764 -1.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 0.1539 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 -0.2542 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 0.0317 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -0.3213 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 -1.0078 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 -1.3343 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 -0.9607 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 -1.2500 -0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7036 -1.9544 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6297 -1.3854 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0743 -0.0331 0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 1.0679 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8749 2.3077 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2409 2.4737 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8042 3.7194 0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0469 1.3739 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4281 1.5471 0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 0.1383 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 -3.3585 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8541 -3.9397 1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3159 -3.8996 -0.2625 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -0.2676 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0895 0.0946 -2.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 0.0523 -1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 -0.0975 0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 0.3468 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -0.8283 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 -0.3983 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1854 -0.2434 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4531 0.1665 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 0.4219 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 0.8341 -0.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8888 0.2748 -1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 0.5330 -2.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6162 -0.1356 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 1.2714 1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 1.5186 2.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 1.9042 1.6409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -0.7852 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 0.5833 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -1.3203 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 -1.8666 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.9930 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2152 0.9552 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 3.1617 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8103 3.8251 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0849 0.8057 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1300 -0.7067 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5805 -4.3189 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 0.5942 -3.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 0.5934 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 0.8693 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 -1.4201 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8369 -1.4725 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 -0.4506 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1544 0.2758 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3639 1.0314 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5408 0.4187 -3.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -0.2642 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1491 2.1460 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 10 20 1 0 20 21 2 0 20 22 1 0 8 23 1 0 23 24 1 0 23 25 2 0 2 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 2 0 27 37 1 0 37 38 2 0 37 39 1 0 25 5 1 0 36 29 1 0 19 12 1 0 3 40 1 0 4 41 1 0 6 42 1 0 7 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 16 47 1 0 18 48 1 0 19 49 1 0 22 50 1 0 24 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 30 56 1 0 31 57 1 0 33 58 1 0 35 59 1 0 36 60 1 0 39 61 1 0 M END