HMDB0038046 RDKit 3D Carvyl acetate 32 32 0 0 0 0 0 0 0 0999 V2000 3.5793 1.3971 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 0.5658 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -0.8958 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 1.0505 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 0.5018 1.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 -0.9152 1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 -1.2517 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 -2.6457 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -0.2778 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 0.5401 -0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 0.6537 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 1.5348 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 -0.0212 -1.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 0.6494 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 1.0321 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 2.4570 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1377 -1.3051 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8184 -1.1150 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 -1.4674 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 2.1705 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 0.5700 2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 1.0814 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 -1.6213 2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 -2.9347 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6557 -2.7689 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 -3.2768 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 -0.7656 -1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 2.4814 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7982 1.0355 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8522 1.8046 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 1.5612 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 0.1756 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 9 14 1 0 14 4 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 M END