HMDB0302263 RDKit 3D (E)-Butylidene phthalide 26 27 0 0 0 0 0 0 0 0999 V2000 -4.4843 -0.0375 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 0.3705 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 0.0242 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8287 0.4889 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 -0.3143 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -1.6673 -0.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -2.1371 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -3.3340 -0.7485 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -1.0370 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -0.8869 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 0.3398 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 1.4539 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 1.3401 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 0.0933 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 -1.1425 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 0.4512 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 0.3390 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 1.4953 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 -0.1243 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 -1.0633 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 0.5489 -1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 1.5374 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3047 -1.8039 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 0.4217 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 2.4556 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 2.1884 0.1494 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