HMDB0030070 RDKit 3D (S)-3-Octanol 27 26 0 0 0 0 0 0 0 0999 V2000 -3.0864 -0.6497 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 0.7857 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 1.3645 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 0.5346 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 0.4990 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -0.3399 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -1.6422 0.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 0.1865 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -0.7434 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -1.2735 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0189 -0.9207 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -0.6940 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 0.7861 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 1.3424 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 2.4009 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 1.3409 -1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 -0.4768 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1534 0.9593 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 1.5070 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 -0.0219 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -0.4032 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 -1.9872 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 1.2079 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 0.0962 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -1.3513 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -1.5064 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -0.1878 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 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 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 M END