HMDB0036198 RDKit 3D (+)-alpha-Bisabolol 42 42 0 0 0 0 0 0 0 0999 V2000 4.0372 1.2146 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 0.7265 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 0.6808 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 0.3238 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 0.3574 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 -1.0291 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -1.0842 0.7326 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6710 -2.5133 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -0.7346 2.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -0.1265 0.1544 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5043 -0.3152 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 0.0907 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 0.7125 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1051 1.0973 -1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 1.0294 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -0.2068 0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 2.0584 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0434 1.5755 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 0.3592 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1899 0.2952 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 1.6948 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 -0.0285 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1484 -0.0273 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 1.0727 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 0.7130 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -1.4015 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -1.6701 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -2.9606 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -3.1059 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7158 -2.6076 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -1.3628 2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.9093 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -1.3525 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 0.3030 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 -0.1283 -2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 2.0890 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4317 0.3388 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 1.2109 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0861 1.2249 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 1.8694 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 -1.0828 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 -0.2096 2.0511 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 6 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