HMDB0031840 RDKit 3D (S,Z)-Lyratol acetate 32 31 0 0 0 0 0 0 0 0999 V2000 -2.3498 0.6813 2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -0.0663 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.3455 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 0.2583 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -0.4929 1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 -1.9455 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 0.1339 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -0.0882 0.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 0.2907 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 0.0167 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 0.9052 -1.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 0.1683 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2809 -0.5957 -1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3562 1.6247 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 1.1251 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 0.8847 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 -0.4625 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -1.4486 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 1.3368 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -2.4207 1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6064 -2.4171 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 -2.1015 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -0.3698 2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 1.1754 1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -0.6878 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 -0.2995 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 0.9960 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0936 -1.6592 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -0.1608 -2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 2.1632 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 1.8717 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 1.9296 -1.9432 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 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 3 12 1 0 12 13 2 3 12 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 4 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 M END