HMDB0240705 RDKit 3D cis-Ferulic acid 24 24 0 0 0 0 0 0 0 0999 V2000 2.2860 2.1545 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 0.7807 0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -0.1670 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 0.2130 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.6977 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 -0.5230 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 0.2806 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 1.1775 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 1.4216 1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 1.9974 1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 -2.0609 -0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -2.4361 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 -1.4798 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -1.8724 -0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0682 2.6941 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 2.6768 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 2.2236 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 1.2818 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6642 -1.1666 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 0.2766 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 2.3603 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 -2.8310 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 -3.4781 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -2.8262 -0.2455 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 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 M END