HMDB0005765 RDKit 3D Ophthalmic acid 39 38 0 0 0 0 0 0 0 0999 V2000 -2.6006 2.2532 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 1.1494 -2.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 0.8691 -0.6803 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0237 -0.1212 -0.6308 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2631 0.2519 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 1.4187 0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 -0.7583 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.1743 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 -1.2052 0.6033 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2757 -2.2932 1.4292 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 -0.5275 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -0.8573 2.2048 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4678 0.5239 0.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 0.2877 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 -0.2038 1.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 0.2083 -0.0461 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 -0.3929 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7515 -0.3827 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 0.0902 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 -0.9108 1.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 1.9952 -2.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 3.1906 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 2.5510 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 0.2156 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 1.4407 -2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.8317 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 -1.0640 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 -1.0504 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -1.6487 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 0.6064 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4381 0.2717 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 -1.5489 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -2.0633 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 -3.1949 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1268 0.7995 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 0.5209 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 -1.4283 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 0.1482 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7240 -0.7984 1.1073 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 3 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 1 4 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 6 10 33 1 0 10 34 1 0 13 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 20 39 1 0 M END