HMDB0032806 RDKit 3D p-Hydroxyphenethyl trans-ferulate 41 42 0 0 0 0 0 0 0 0999 V2000 6.7105 2.2214 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 0.8840 -0.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 0.0046 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 0.3886 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.4895 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 0.0002 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -0.7209 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.1165 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 1.0893 -0.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 -0.8713 0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 -0.2371 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 -1.1476 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9556 -0.4014 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 -0.3721 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7761 0.3288 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3687 1.0246 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5488 1.7201 -0.2571 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7127 0.9834 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 0.2852 1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 -1.7763 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -2.1658 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3225 -1.2974 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6551 -1.7047 0.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6459 2.8427 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 2.2846 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 2.6949 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 1.4238 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 1.0422 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -1.7488 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 0.0472 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5365 0.6471 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -1.9632 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 -1.6549 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1475 -0.9144 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2904 0.3611 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9313 2.2067 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1328 1.5153 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0044 0.2465 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 -2.4641 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 -3.1864 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 -1.0098 -0.1510 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 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 5 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 3 1 0 19 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 23 41 1 0 M END