HMDB0029980 RDKit 3D Hexyl acetate 26 25 0 0 0 0 0 0 0 0999 V2000 3.6358 0.5629 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 0.1198 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 0.0992 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -0.8521 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -0.9889 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 0.3346 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 0.2905 1.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 -0.0972 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.1408 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9158 -0.4282 -1.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 1.4475 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8645 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -0.2701 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 0.7426 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -0.9225 -1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 1.1430 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 -0.1932 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.4642 1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -1.8310 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -1.6717 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -1.4121 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 0.6605 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.1322 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9647 -1.1377 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -0.0543 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 0.6574 1.1128 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 8 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 M END