HMDB0240628 RDKit 3D 1-Carboxyethylphenylalanine 32 32 0 0 0 0 0 0 0 0999 V2000 -3.0315 1.5149 1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 0.6387 -0.1893 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9488 -0.5290 0.4278 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 -0.8340 0.0059 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3137 0.2897 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 0.1949 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 0.2491 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 0.3215 -1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6145 0.3415 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 0.2889 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 0.2187 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -2.1751 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -3.1441 0.2044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 -2.4917 1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 0.4684 -1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 1.0434 -0.7758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -0.3487 -2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 2.5145 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9344 1.0161 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 1.4412 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 1.3042 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 -1.3408 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 -0.8869 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 1.1639 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 0.7135 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 0.2373 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.3718 -2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 0.4164 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 0.3047 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 0.1845 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 -2.1608 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 -1.3267 -1.9298 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 4 12 1 0 12 13 2 0 12 14 1 0 2 15 1 0 15 16 2 0 15 17 1 0 11 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 6 3 22 1 0 4 23 1 6 5 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 17 32 1 0 M END