HMDB0037814 RDKit 3D 2-Propenyl cyclohexanepentanoate 40 40 0 0 0 0 0 0 0 0999 V2000 6.9277 -0.4590 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -0.1521 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 1.0055 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 0.5921 -0.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3019 -0.2648 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 -0.7074 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.5961 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1259 0.6659 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 0.5246 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.4623 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.4628 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 0.9172 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6181 0.8042 -0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 0.3128 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 -0.8606 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -1.4431 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5896 -1.3272 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8769 0.0704 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3805 -0.7375 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 1.7156 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 1.5260 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 -1.3836 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 -1.0021 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 1.0667 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 1.4044 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 0.2884 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 1.5288 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1412 -0.1681 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6743 -1.4551 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 -0.7159 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 1.5207 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 1.3842 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9948 0.1313 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 1.8445 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 1.1392 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 0.0658 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7718 -1.6508 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -0.5847 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -1.6927 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 -2.3825 0.2815 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 2 0 5 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END