HMDB0040830 RDKit 3D N-Feruloylaspartic acid 37 37 0 0 0 0 0 0 0 0999 V2000 5.0132 1.5734 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.7235 -0.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 0.0426 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 0.1174 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -0.5904 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -0.4524 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4947 -1.0788 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 -0.9583 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -1.6340 1.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 -0.1565 -0.5336 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 -0.0671 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4967 0.9979 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 2.2942 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 2.9004 -1.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 2.8346 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.4110 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -2.4730 -0.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8367 -1.5081 -0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -1.3624 1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.4527 2.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -0.7539 1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 -0.8134 1.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.7960 -1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 1.2333 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 2.5743 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 0.7296 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 0.2032 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 -1.7325 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 0.3974 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 0.1371 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 0.8468 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 1.0896 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 3.5409 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4195 -2.1911 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 -1.9255 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -2.0625 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.4086 2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 2 0 16 18 1 0 5 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 22 37 1 0 M END