HMDB0036330 RDKit 3D Homodihydrocapsaicin 54 54 0 0 0 0 0 0 0 0999 V2000 8.5608 -1.5446 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 -0.7215 0.2666 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6902 -0.3564 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -0.7503 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2643 -0.3556 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 -0.6416 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 0.5488 -1.0983 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 1.8409 -1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 2.5170 -2.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 2.0182 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 0.9623 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 1.3096 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.3322 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6567 0.9209 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 0.0071 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3603 -0.4669 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -1.3455 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7596 -0.6293 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 -2.0509 -1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 0.4828 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 0.9076 1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 0.5084 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 0.9576 2.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 -2.3217 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1148 -1.1115 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3407 -2.2089 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6858 -1.4125 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 -1.2400 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -1.2825 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 0.8887 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 3.0336 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 1.9930 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1441 -0.0667 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 0.9652 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 2.3208 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 1.3000 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -0.6426 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.1607 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 1.0646 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 1.8915 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 -0.7905 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6475 0.6109 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7547 0.3991 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 -0.9559 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 -2.1098 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4717 -0.1360 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6185 -1.3467 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0668 0.1515 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3722 -1.3659 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5255 -2.9686 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8887 -2.3458 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 0.7920 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0429 1.5700 2.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 0.7132 2.1225 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 1 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 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 23 54 1 0 M END