HMDB0037742 RDKit 3D xi-5-Dodecanolide 36 36 0 0 0 0 0 0 0 0999 V2000 -4.5821 0.5364 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8154 1.0691 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 -0.0135 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 -0.2649 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -1.3164 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 -1.5747 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 -0.3374 -1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 0.2170 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -0.8068 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 -0.1016 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 0.8177 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 1.8136 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 3.0067 -0.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 1.3910 -0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 -0.5648 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 0.8861 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 0.9250 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 1.2969 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 1.9780 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -0.9507 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 0.2927 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -0.4790 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.7348 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 -0.9568 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 -2.2253 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -1.8606 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 -2.4370 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 -0.5451 -2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 0.4497 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 0.5050 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -1.2271 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -1.5888 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 0.6064 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -0.7642 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 1.2615 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.2268 -0.9276 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 M END