HMDB0000894 RDKit 3D Vinylacetylglycine 19 18 0 0 0 0 0 0 0 0999 V2000 -3.8109 -0.4124 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 -1.1103 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 -0.4999 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 -0.3842 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.7800 -1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 0.1722 0.3532 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.2916 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 0.8967 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 1.2301 1.5066 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 1.0900 -0.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 0.5854 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6324 -0.8316 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 -2.1026 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 0.4942 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 -1.1648 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 0.5074 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 0.8029 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -0.7631 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 1.9784 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 10 19 1 0 M END