HMDB0032805 RDKit 3D N-trans-Feruloyloctopamine 43 44 0 0 0 0 0 0 0 0999 V2000 6.2789 0.4907 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.3902 -0.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 0.3470 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 0.4013 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 0.3574 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.4108 0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 0.5037 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 0.5565 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 0.6460 -1.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 0.5128 0.4864 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 0.5466 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -0.6511 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3306 -0.7440 -1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -0.5465 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 0.3027 -1.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3138 0.4132 -1.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1201 -0.3390 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4989 -0.2020 -0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5533 -1.1855 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 -1.3053 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 0.2588 2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 0.2051 2.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1755 0.2490 1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5381 0.1974 2.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6067 -0.3651 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 1.4162 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1395 0.4608 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 0.4779 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 0.3688 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 0.5424 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 0.4479 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 1.5010 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 0.6114 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -1.6090 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -0.7250 -2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 0.8721 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 1.0891 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0375 0.4874 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2098 -1.7652 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7738 -1.9788 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 0.2238 3.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5779 0.1279 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 0.2307 1.3925 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 5 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 3 1 0 20 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 24 43 1 0 M END