HMDB0011621 RDKit 3D Cinnamoylglycine 26 26 0 0 0 0 0 0 0 0999 V2000 4.0024 0.9055 1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 0.2306 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 0.1528 0.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 -0.4755 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 -0.2894 -0.4131 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 -0.8674 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 -1.5726 -2.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 -0.7284 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.0323 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 0.1156 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 0.8777 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 1.0856 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7859 0.5143 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 -0.2467 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -0.4405 -1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 0.9626 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 -0.0843 -1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -1.5852 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 0.2871 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -1.2073 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 0.4591 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8888 1.3342 1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 1.6778 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 0.6614 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 -0.6891 -1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -1.0457 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 15 26 1 0 M END