HMDB0240725 RDKit 3D cis-Ferulic acid 4-glucuronide 44 45 0 0 0 0 0 0 0 0999 V2000 2.0970 -3.9874 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 -2.8920 0.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -1.6141 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -1.3985 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 -0.1196 -0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 0.0131 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 0.9221 -1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4263 2.2898 -1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 3.0364 -1.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 2.9788 -2.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 0.8451 -0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 0.6276 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 -0.6073 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 -0.8912 0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -0.0462 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 -0.0033 1.7203 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 0.9323 1.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 1.1841 3.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 0.5601 4.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 2.0823 3.8085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 0.4197 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1449 1.5232 0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -0.4715 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1096 -0.1205 -0.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 -0.5202 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 0.2106 -1.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -4.0095 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 -3.8764 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -4.9297 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 -2.2338 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 -0.9944 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6329 0.5638 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 3.3016 -3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6682 1.8267 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 1.4740 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 0.9736 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 1.9120 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 3.0683 3.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -0.0926 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7829 2.0095 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 -1.5149 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0594 -0.8408 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 -1.5745 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 -0.0166 -2.1604 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 3 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 13 3 1 0 25 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 15 36 1 0 17 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 M END