6885 -OEChem-03292401392D 16 17 0 0 0 0 0 0 0999 V2000 5.2619 -0.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -1.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -1.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > 6885 > 1 > 153 > 2 > 0 > 0 > AAADcYBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAGgAAAAAADACgmAIwCIAABACIAiDSCAACAAAkAAAIiAEACMgIJjKANRiCMQAkwAEIqYeKyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3H-isobenzofuran-1-one > 3H-isobenzofuran-1-one > 3H-2-benzofuran-1-one > 3H-2-benzofuran-1-one > 3H-2-benzofuran-1-one > phthalide > InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 > WNZQDUSMALZDQF-UHFFFAOYSA-N > 0.8 > 134.036779430 > C8H6O2 > 134.13 > C1C2=CC=CC=C2C(=O)O1 > C1C2=CC=CC=C2C(=O)O1 > 26.3 > 134.036779430 > 0 > 10 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 4 8 3 6 8 4 8 8 6 9 8 8 10 8 9 10 8 $$$$