HMDB0303881 RDKit 3D (trans)-3-methyloctanoic acid-gamma-lactone 27 27 0 0 0 0 0 0 0 0999 V2000 4.0764 -0.3009 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 0.2733 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -0.2992 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 0.2844 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 -0.2195 -0.3456 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0242 -1.6033 -0.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -1.8644 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -2.8861 -0.8172 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 -0.6818 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 0.2850 0.5505 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2959 1.6937 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 -1.1907 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 0.4369 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7888 -0.6047 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -0.0096 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 1.3740 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -0.0121 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -1.3947 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 1.3920 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 0.1179 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 0.1948 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 -0.2929 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -1.0893 1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 0.1695 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 2.3363 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 2.0967 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 1.7948 -0.3457 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 7 9 1 0 9 10 1 0 10 11 1 0 10 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 6 9 22 1 0 9 23 1 0 10 24 1 1 11 25 1 0 11 26 1 0 11 27 1 0 M END