HMDB0029611 RDKit 3D Asparagusic acid 14 14 0 0 0 0 0 0 0 0999 V2000 0.3896 -2.1861 0.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -1.1544 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 -1.0535 -0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 -0.0329 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 1.1655 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 2.4903 0.3243 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.1057 0.2635 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.3957 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 -0.6406 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 0.1510 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 1.5175 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 0.9905 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -1.1102 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 -0.8470 1.3102 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 4 1 0 3 9 1 0 4 10 1 0 5 11 1 0 5 12 1 0 8 13 1 0 8 14 1 0 M END