HMDB0032028 RDKit 3D (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone 26 27 0 0 0 0 0 0 0 0999 V2000 -2.9553 -1.1293 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.0239 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 1.2353 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -0.2676 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -0.2835 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -0.5369 2.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.4772 2.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 -0.6524 3.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -0.1679 1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 0.0092 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 0.2974 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 0.4116 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 0.2382 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -0.0505 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 -2.1242 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.1489 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 -0.9227 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3935 0.1977 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 1.0913 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3677 1.3515 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 2.1178 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.4771 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 -0.0941 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 0.4220 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 0.6367 -2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 0.3476 -1.7555 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 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 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 M END