HMDB0031761 RDKit 3D Propyl benzoate 24 24 0 0 0 0 0 0 0 0999 V2000 -4.3124 0.2026 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 0.3720 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1512 0.1729 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 0.3147 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1051 -0.4585 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -1.3513 -0.7137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -0.2645 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 -1.0765 -0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 -0.9300 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 0.0406 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 0.8514 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.7019 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7854 0.0480 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 -0.5884 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7443 1.1505 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.3641 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -0.3829 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 0.9522 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -0.8029 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 -1.8572 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -1.5852 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3779 0.1486 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 1.6270 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.3509 1.3796 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END