HMDB0000301 RDKit 3D Urocanic acid 16 16 0 0 0 0 0 0 0 0999 V2000 3.3325 1.2681 -0.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 0.0950 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 -0.8565 -0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -0.3144 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 0.5429 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 0.1500 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 1.0097 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 0.3442 0.1148 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -0.9203 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -1.0631 0.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -1.6475 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -1.3301 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 1.5533 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 2.0805 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 0.7794 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -1.6912 0.5953 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 3 11 1 0 4 12 1 0 5 13 1 0 7 14 1 0 8 15 1 0 9 16 1 0 M END