HMDB0060366 RDKit 3D 3-Carbamoyl-2-phenylpropionaldehyde 25 25 0 0 0 0 0 0 0 0999 V2000 3.5287 1.8219 -0.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 0.5408 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 -0.0114 0.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5785 -0.2737 -0.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 0.1188 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.8933 -0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 -2.2153 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -3.2235 -0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 -0.3219 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 -0.0322 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 0.4999 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5945 0.7505 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 0.4789 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -0.0624 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 2.2499 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 0.4913 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 0.2802 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 1.1023 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 -1.0190 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 -2.3592 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -0.2177 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 0.7201 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 1.1747 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 0.6876 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -0.2875 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 3 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END