HMDB0031683 RDKit 3D xi-Dihydro-5-octyl-2(3H)-furanone 36 36 0 0 0 0 0 0 0 0999 V2000 4.5811 1.4992 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 0.0767 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -0.1571 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 0.1054 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 -0.1508 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 0.0726 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 -0.8388 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.7377 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 -1.0290 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.8666 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7981 0.5680 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9112 0.9507 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9421 2.0585 -1.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 -0.0965 -1.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 1.5520 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 2.1103 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 1.9153 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 -0.0968 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 -0.5968 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 0.4842 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -1.2140 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -0.6941 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 1.0967 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 -1.2391 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 0.4761 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -0.0813 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 1.1608 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -1.8700 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -0.5637 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -1.4197 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 0.2917 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -2.0781 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 -0.9862 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1299 -1.5888 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 1.2233 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8711 0.6636 -0.2444 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 9 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 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 M END