HMDB0038196 RDKit 3D alpha-Bisabolol oxide A 43 44 0 0 0 0 0 0 0 0999 V2000 -4.9054 0.8383 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5587 0.2621 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 0.9984 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 0.4443 -1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 -0.7380 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.3238 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 0.7452 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 -1.5543 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 -2.1538 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -1.1851 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -1.5744 -1.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 0.2280 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 1.0233 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 0.9049 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 0.2535 -0.4632 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -1.4700 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -1.1381 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6499 0.0455 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 1.0150 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0388 1.7548 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 2.0643 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5287 1.2829 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 0.2303 -2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -1.4538 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 0.4166 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 0.9937 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 1.7262 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -2.3668 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 -1.2711 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -2.9467 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4171 -2.7236 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -1.1813 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -1.2574 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 2.0977 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 0.8770 1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 0.6813 2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 1.9785 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 0.3939 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 0.9011 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 -1.2738 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -2.5644 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5977 -1.7394 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 -1.4621 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 5 16 1 0 16 17 1 0 17 2 1 0 15 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END