HMDB0040194 RDKit 3D Methyl 2-nonenoate 30 29 0 0 0 0 0 0 0 0999 V2000 4.5115 -0.5764 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 -1.0184 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 0.0526 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.4122 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 0.5793 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 0.7843 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 1.7388 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7355 1.5238 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 0.2762 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 -0.7343 0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7378 0.1636 0.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3323 -1.0626 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 -1.3993 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.3786 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 -0.3934 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -1.9545 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 -1.1126 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 0.1483 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 0.9934 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -0.6727 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 -1.3582 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 0.2431 -2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 1.5812 -1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 1.3527 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 -0.1364 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 2.7325 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 2.3836 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9323 -1.4168 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5843 -1.8120 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0747 -0.8721 1.4817 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 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 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 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END