HMDB0036329 RDKit 3D Homocapsaicin 52 52 0 0 0 0 0 0 0 0999 V2000 6.4098 1.2539 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 1.5127 -0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 0.6350 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -0.5430 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -1.3238 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -2.6080 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -2.4923 -1.5737 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -1.8536 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 -1.3839 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 -1.7486 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -1.1692 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -1.0862 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -0.2132 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 -0.1285 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 0.4006 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1375 1.5130 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 2.0721 2.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1337 2.2459 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2568 1.1626 3.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 -0.9737 -3.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7151 0.2030 -3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.0305 -2.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 2.2060 -3.3992 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5643 1.6384 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5949 0.1719 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 1.8048 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -0.8327 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 -2.9270 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 -3.4033 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -2.8875 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 -2.7617 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -1.1167 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -0.1444 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.7445 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -0.7180 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -2.1273 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0457 0.8344 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 -0.4482 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 0.6261 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 -1.1007 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -0.1588 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3433 2.0465 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1902 3.0737 2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4139 3.2674 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6736 1.4821 2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4768 2.1898 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6758 0.1403 3.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 1.5446 4.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1488 1.1038 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 -1.6229 -4.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 0.4886 -4.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 2.8700 -2.8367 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 1 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 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 5 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 3 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 23 52 1 0 M END