Mrv1652309082208162D 16 17 0 0 1 0 999 V2000 -0.6674 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5105 1.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5105 -1.1089 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 2 0 0 0 0 6 4 1 1 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 6 0 0 0 M END > NP0263173 > NP-MRD > C[C@H]1C=CC(=O)[C@H](O)[C@@]11C(=O)OC(=C)C1=O > InChI=1S/C11H10O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,9,14H,2H2,1H3/t5-,9-,11+/m0/s1 > GBBAMXSZPPEWFS-RCPFJQLFSA-N > C11H10O5 > 222.196 > 222.052823422 > 4 > 26 > 20.31367234581845 > 1 > 1 > 0 > 1 > (5S,6R,10S)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione > 0.7297626630000003 > 0 > 2 > 0 > 12.845896743977441 > 10.94156655230391 > -3.88827604380688 > 80.67 > 54.359600000000015 > 0 > 1 > (5S,6R,10S)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione > 0 > NP0263173 > (5s,6r,10s)-6-hydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione $$$$