Mrv1652309032208542D 14 16 0 0 1 0 999 V2000 3.3776 2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 2.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 0.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6425 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8175 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8175 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0026 0.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 2.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 1.6398 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 8 13 1 0 0 0 0 5 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0170680 > NP-MRD > O=C1O[C@]2(CC[C@@]22OC(=O)C=C2)C=C1 > InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10+ > JLUQTCXCAFSSLD-AOOOYVTPSA-N > C10H8O4 > 192.17 > 192.042258738 > 2 > 22 > 17.82312648967964 > 1 > 0 > 0 > 1 > (5R,6S)-1,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-3,9-diene-2,8-dione > 0.54 > 1.2745752679999998 > -1.63 > 0 > 3 > 0 > -6.534645713928027 > 52.60000000000001 > 47.186400000000006 > 0 > 1 > 4.52e+00 g/l > (5R,6S)-1,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-3,9-diene-2,8-dione > 0 > NP0170680 > (5r,6s)-1,7-dioxadispiro[4.0.4⁶.2⁵]dodeca-3,9-diene-2,8-dione $$$$