HMDB0041518 RDKit 3D Nb-p-Coumaroyltryptamine 41 43 0 0 0 0 0 0 0 0999 V2000 0.7222 0.0565 -1.7866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9874 -0.1629 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -0.0991 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 0.1889 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 0.2643 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 0.0462 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 0.1323 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5133 0.4473 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 0.5417 0.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0788 0.6703 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 0.5844 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -0.4752 0.3179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.5476 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.8965 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 -0.9726 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 -2.1177 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7365 -1.7243 -0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7976 -0.3791 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8509 0.4759 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6001 1.8238 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 2.3257 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3463 1.4800 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 0.1258 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -0.2926 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 0.3772 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -0.2021 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 -0.0449 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4755 -0.2787 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8222 0.9184 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 0.7585 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 -0.6605 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.4275 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -1.3019 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 -0.2085 1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -1.9079 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -3.1174 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4979 -2.4174 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7888 0.0442 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3894 2.5194 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1645 3.3887 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 1.8172 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 11 5 1 0 23 15 1 0 23 18 1 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 M END