HMDB0029608 RDKit 3D Angelic acid 15 14 0 0 0 0 0 0 0 0999 V2000 2.0705 -0.2598 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 -0.9014 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -0.2162 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 -0.9120 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 1.2024 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 1.8546 0.4167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.8980 0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 0.5571 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0045 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 0.1652 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6405 -1.9748 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6743 -1.8951 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 -0.3022 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -1.0421 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 2.8309 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 4 12 1 0 4 13 1 0 4 14 1 0 7 15 1 0 M END