HMDB0032064 RDKit 3D (S)-3-Butyl-1(3H)-isobenzofuranone 28 29 0 0 0 0 0 0 0 0999 V2000 -3.1974 1.0263 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -0.3759 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -0.7120 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 -0.5763 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 -0.8746 1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7129 -2.1540 1.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -2.1518 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 -3.1328 -0.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1685 -0.7383 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 -0.1504 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 1.2181 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 1.9584 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 1.4086 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 0.0183 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 1.4244 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 1.7131 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 1.0294 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2323 -0.5156 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.0763 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 -1.7234 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 0.0470 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 0.4453 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -1.3223 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -0.7610 2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.7732 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 1.7001 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 3.0436 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 2.0052 1.1739 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 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 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 M END