HMDB0038138 RDKit 3D alpha-Bisabolol oxide C 43 44 0 0 0 0 0 0 0 0999 V2000 4.5933 -0.2086 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -0.3000 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7914 -0.0585 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -0.5976 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 -0.8303 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 0.1184 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 0.3264 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 0.8576 1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -0.8556 0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -0.7235 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 -1.8549 0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 0.5711 0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 1.7736 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 1.2803 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 0.4990 -1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -0.6165 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 -0.3315 -1.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 0.5721 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 0.0924 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -1.1784 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 -0.4544 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 -0.5083 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 1.0444 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -0.6690 1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -0.7857 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4938 -1.9034 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -0.0348 -2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 1.1450 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 1.6078 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 0.0343 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 1.3048 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -2.0506 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -2.8157 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 -1.5867 2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 0.5602 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 0.5768 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 2.2316 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 2.6040 0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 2.0636 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 0.1565 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 1.2773 -2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 -1.5926 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8152 -0.7407 -0.6420 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 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 14 7 1 0 16 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 11 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 15 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 M END