HMDB0032054 RDKit 3D alpha-Terpinyl pentanoate 43 43 0 0 0 0 0 0 0 0999 V2000 4.9074 0.9716 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 0.0791 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 0.7309 1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 1.4580 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 0.5614 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 0.7311 -1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -0.4588 0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.3181 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -2.0644 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 -2.4634 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 -0.8320 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1344 -0.5010 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.4906 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 0.9208 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 1.9208 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 0.3935 -1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.2930 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 0.6066 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 0.9019 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 2.0172 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 -0.7007 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2508 -0.5267 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3339 1.4069 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 -0.0477 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 1.8801 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 2.3414 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -1.4912 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -2.3887 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -2.9695 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 -3.2043 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 -1.9676 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.8684 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2056 -1.6645 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 -0.0558 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 -1.3810 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 0.8831 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7957 1.5026 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1786 2.2088 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6028 2.8225 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 1.1181 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -0.6106 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4327 1.2690 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 0.0054 -2.1220 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END