HMDB0036420 RDKit 3D Spathulenol 40 42 0 0 0 0 0 0 0 0999 V2000 -3.0655 1.7790 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 1.4490 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 2.5697 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4939 2.2057 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 1.3786 -0.5655 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9671 -0.0230 -0.6958 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2057 -0.4414 0.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5355 0.0034 -0.4659 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4956 -0.8693 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -1.9780 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 -1.9528 0.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7126 -2.5123 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 -2.6113 0.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 0.3580 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.2016 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 0.1354 1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 2.8079 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 1.0013 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 3.0371 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 3.3105 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 1.7894 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 3.1840 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 1.9252 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 -0.5042 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 -0.1370 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 -0.2309 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 -0.2793 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 -1.3000 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -2.9587 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.6600 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -3.5217 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -1.9069 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -2.7409 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -2.2612 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.0583 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 -0.7197 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 0.2066 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 0.8330 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 0.2609 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 -0.8858 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 1 6 14 1 0 14 15 1 0 14 16 1 0 8 2 1 0 14 5 1 0 11 7 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 6 6 24 1 6 7 25 1 1 8 26 1 6 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 M END