HMDB0033619 RDKit 3D Hexyl hexanoate 38 37 0 0 0 0 0 0 0 0999 V2000 -6.2179 -0.7534 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5654 0.2014 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1047 -0.1257 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -0.0633 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 -0.3755 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 0.5795 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 0.2301 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 0.8980 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 1.8857 -1.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 0.5361 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 -0.6674 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -1.0701 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 0.0350 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -0.4700 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5857 -1.6145 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 -0.1755 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1991 -1.1147 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6219 1.2568 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 0.0990 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 0.5610 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0719 -1.1472 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7641 -0.8472 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5279 0.8997 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -0.3660 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 -1.3970 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 0.4073 -1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 1.5995 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 1.3874 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 0.2408 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 -0.3818 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.5366 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -1.4439 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -1.9166 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9911 0.2335 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.9747 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7334 -1.1955 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 0.3776 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 -0.9011 0.9429 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END