HMDB0041519 RDKit 3D Nb-Feruloyltryptamine 45 47 0 0 0 0 0 0 0 0999 V2000 -5.6851 0.7495 2.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5252 0.7272 1.4025 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 0.6669 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 0.6347 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 0.5759 -1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 0.5463 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 0.5738 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 0.5430 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 0.4886 -1.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 0.5731 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 0.5485 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 -0.6955 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -0.6650 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 -0.3782 -1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 -0.4538 -1.4299 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -0.7808 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2431 -0.9881 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0924 -1.3196 2.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8156 -1.4574 2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -1.2555 1.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9056 -0.9241 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 0.5501 -2.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2461 0.5822 -2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8244 0.6413 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1955 0.6752 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9524 -0.1034 2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 0.5528 3.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1585 1.7109 2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 0.6575 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 0.4994 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 0.6198 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 0.6166 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 0.5714 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 1.4617 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.5992 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -0.7415 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 -0.1318 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -0.3014 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 -0.8888 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 -1.4693 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 -1.7127 3.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 -1.3482 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4464 0.5026 -3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9173 0.5616 -3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 0.6558 -1.5804 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 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 21 13 1 0 21 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 M END