HMDB0034903 RDKit 3D (3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone 34 35 0 0 0 0 0 0 0 0999 V2000 4.7156 0.7339 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 0.7808 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -0.6039 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 -0.6882 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -0.1823 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 1.1736 0.5975 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7367 1.6846 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 2.8361 1.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 0.6265 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 1.0621 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6808 -0.0527 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 -1.4054 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 -1.5249 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -0.1816 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 0.4818 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7707 0.0299 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9308 1.7553 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 1.4568 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.2534 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -1.2235 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -1.0355 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 -1.7521 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -0.0356 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.8521 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 -0.0254 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 2.0223 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 1.2622 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5437 0.1292 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7635 -0.0864 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 -2.1536 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 -1.6374 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -2.2071 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 -2.0099 -1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 0.3689 -1.3090 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 11 12 1 0 12 13 1 0 13 14 1 0 14 5 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 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 M END