HMDB0036197 RDKit 3D (-)-alpha-Bisabolol 42 42 0 0 0 0 0 0 0 0999 V2000 -4.3580 0.3566 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2359 0.1725 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4544 -0.0569 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 0.2020 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 0.4315 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -0.7849 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 -0.7212 0.5166 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0670 -1.9859 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -0.7634 1.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 0.5182 0.2534 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5068 0.7255 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 0.1460 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 0.4958 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 0.0102 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 1.4032 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 0.6551 1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -0.4409 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 1.3479 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 0.2239 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 0.4612 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -1.1458 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3039 0.3882 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 0.0684 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 0.6058 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 1.3416 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 -1.7185 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 -0.8195 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.7384 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -2.4781 -0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 -1.7886 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -1.6249 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.3909 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 0.3755 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.8264 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -0.5043 -2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8537 0.6701 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4666 0.0210 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 -1.0393 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 1.6207 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 2.3012 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 -0.3514 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 1.2023 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 1 7 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 10 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 10 32 1 1 11 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END