HMDB0036200 RDKit 3D (R)-2,5,11-Bisabolatriene 39 39 0 0 0 0 0 0 0 0999 V2000 -4.4354 -0.4905 1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.3353 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 0.3502 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 1.2618 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5643 0.9834 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 -0.4192 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.9757 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 -2.4380 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 -0.2513 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 -0.8752 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -0.1508 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 0.5345 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 0.5071 -0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 1.1436 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 1.1410 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 -0.4838 2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2397 -1.1577 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 1.3060 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 0.3659 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -0.5136 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 1.1269 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 2.3260 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 1.7218 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 1.2172 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 -1.0625 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -0.4853 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 -1.0508 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 -2.9488 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 -2.4121 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8512 -2.9142 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1093 -1.8999 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -0.8420 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 0.6414 1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 -0.1943 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 1.4945 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9173 0.1393 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 1.6502 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 1.5166 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 1.8031 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 9 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END