Mrv1533004251512242D 14 16 0 0 0 0 999 V2000 0.5597 -2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -0.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -1.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0284156 > NP-MRD > O=C1CCC2=CC=C3OCOC3=C2O1 > InChI=1S/C10H8O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1,3H,2,4-5H2 > YJVZNOPAXXZMCW-UHFFFAOYSA-N > C10H8O4 > 192.17 > 192.042258738 > 3 > 22 > 18.399139115626443 > 1 > 0 > 0 > 1 > 3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-12-one > 1.64 > 1.5094029266666666 > -1.62 > 0 > 3 > 0 > -4.783612963757488 > 44.760000000000005 > 46.22220000000001 > 0 > 1 > 4.64e+00 g/l > 3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-12-one > 0 > NP0284156 > 3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-12-one $$$$