HMDB0254235 RDKit 3D (2S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carbox... 45 48 0 0 0 0 0 0 0 0999 V2000 -1.8336 -1.8211 1.3694 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -1.0669 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 0.0083 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -0.1737 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 -1.0821 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -2.4493 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -3.3288 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -2.9375 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 -1.6178 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9947 -0.7013 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 0.6248 -0.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 1.5567 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 2.9097 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 3.9029 1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 3.5275 1.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 2.2268 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.2375 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8335 -1.9051 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -1.3156 -1.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0296 -3.2990 -0.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -0.4708 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 0.4158 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7881 0.9254 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 1.3196 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 0.5259 -2.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 2.5471 -2.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 -1.2697 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 -2.3499 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 0.5945 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 0.7609 1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -0.4183 2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8473 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 -4.3993 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 -3.6535 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -1.2833 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 3.1244 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 4.9243 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 4.2870 2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 1.9405 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 -3.7093 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 -1.1997 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5505 0.3164 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0079 0.6896 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 1.7195 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 3.2141 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 2 18 1 0 18 19 2 0 18 20 1 0 2 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 17 4 1 0 23 21 1 0 10 5 1 0 17 12 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 26 45 1 0 M END