HMDB0032944 RDKit 3D Coumarin-4-carboxylic acid 20 21 0 0 0 0 0 0 0 0999 V2000 -3.4814 -0.2214 -0.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 -0.6693 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 -2.0397 -0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 0.2826 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 1.6422 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 2.5415 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 3.7952 -0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 2.1898 0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 0.9206 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 0.5857 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -0.7337 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -1.7387 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -1.3862 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -0.0692 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -2.4572 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 1.9215 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 1.3933 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -1.0140 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -2.7954 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 -2.1475 -0.0114 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 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 4 1 0 14 9 1 0 3 15 1 0 5 16 1 0 10 17 1 0 11 18 1 0 12 19 1 0 13 20 1 0 M END