HMDB0032027 RDKit 3D 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone 28 29 0 0 0 0 0 0 0 0999 V2000 2.6588 -1.5295 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -0.4196 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 0.2812 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 0.6302 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 1.0030 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2426 2.0394 1.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 2.0877 1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 2.8463 2.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0819 0.9790 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 0.4650 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 -0.6406 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 -1.1289 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 -0.6249 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9564 0.6106 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 -1.7020 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -2.4579 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 -1.2665 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -0.7817 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.2892 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 -0.2915 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 0.3509 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 1.1285 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1055 0.8970 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 -1.0372 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7223 -1.9816 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.5066 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -0.6723 -1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 1.4326 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 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 3 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 13 27 1 0 14 28 1 0 M END