HMDB0060351 RDKit 3D 2-Phenyl-1,3-propanediol monocarbamate 27 27 0 0 0 0 0 0 0 0999 V2000 -3.6869 -0.8547 1.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 -1.2256 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 -2.3029 -0.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -0.5888 -0.3138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 0.4979 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 1.1532 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2148 1.7053 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 2.6488 -1.5273 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 0.3273 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 0.6778 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 -0.0856 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 -1.2586 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -1.6457 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.8761 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -0.0496 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -3.0144 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 1.2826 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 0.1466 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 2.0558 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 0.8318 -2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 2.1281 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9951 2.3205 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 1.6031 1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.2487 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2209 -1.9018 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -2.5778 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -1.2460 -1.1480 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 1 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 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 M END