HMDB0032061 RDKit 3D 3-Butylidene-1(3H)-isobenzofuranone 26 27 0 0 0 0 0 0 0 0999 V2000 2.3852 0.6194 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -0.2511 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 -0.8605 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 0.2022 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 0.5821 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 1.6417 -1.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 1.7488 -1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 2.5544 -1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2056 0.7051 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 0.3793 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -0.6602 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 -1.3657 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -1.0354 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 0.0021 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 0.1020 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 0.7688 1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 1.5775 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 0.3093 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 -1.0990 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -1.2485 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -1.7025 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 0.8327 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 0.9392 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -0.9806 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9134 -2.1797 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -1.5816 0.7032 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 2 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 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 M END