HMDB0032327 RDKit 3D Hexyl 3-mercaptobutanoate 33 32 0 0 0 0 0 0 0 0999 V2000 4.8050 -1.5512 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -0.3595 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -0.1835 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 1.0451 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8767 1.3230 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 0.2066 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 0.5380 0.8852 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 0.8074 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 0.7735 -1.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4117 1.1438 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 -0.0842 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 -1.1541 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9564 0.2454 -0.8630 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 -2.4739 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -1.6319 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 -1.3679 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 -0.5252 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 0.5681 -0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 -0.1122 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -1.0479 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 1.9026 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.9463 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 1.5414 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 2.2085 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -0.7434 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -0.0276 2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6588 1.9607 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 1.5027 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -0.4564 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 -0.6318 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 -1.6186 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -1.8954 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5508 -0.8487 -1.5208 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 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 M END