HMDB0040529 RDKit 3D 3-Methylbutyl pentanoate 32 31 0 0 0 0 0 0 0 0999 V2000 5.0252 -0.1068 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 -0.0187 -0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.2820 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 0.7790 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.5981 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 1.4095 1.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.3862 0.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 -0.5711 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 0.6185 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 0.3404 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 0.0638 1.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 -0.8799 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 -1.0231 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 -0.1991 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8445 0.8206 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 -0.8232 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 0.9859 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 -1.2931 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -0.1921 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5261 1.7917 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 0.5521 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.4379 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 -0.8415 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 1.5418 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9947 0.7672 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 1.1895 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 -1.0039 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 0.7575 2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 0.2552 1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6269 -1.7611 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -0.7820 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -0.8691 -0.7440 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 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 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END