Mrv1652304292201172D 19 22 0 0 1 0 999 V2000 0.6388 -0.5587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0068 -0.0284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0274 0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 0.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4474 -0.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0293 -0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -1.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -0.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.4656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4932 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 -1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -1.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5098 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 0.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 1 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 7 13 1 6 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 1 17 1 1 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 1 0 0 0 M END > NP0078161 > NP-MRD > C=C1[C@H]2[C@@H](CC1=O)C(=C)CC[C@@H]1[C@@H]2OC(=O)[C@]11CO1 > InChI=1S/C15H16O4/c1-7-3-4-10-13(19-14(17)15(10)6-18-15)12-8(2)11(16)5-9(7)12/h9-10,12-13H,1-6H2/t9-,10+,12-,13-,15-/m0/s1 > DJGLGXXXPMRUCU-BOWTYGHESA-N > C15H16O4 > 260.289 > 260.104858995 > 3 > 35 > 26.643359776694737 > 1 > 0 > 0 > 1 > (3R,3aR,6aR,9aR,9bR)-6,9-dimethylidene-decahydro-2H-spiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,8-dione > 0.74 > 1.4413811713333333 > -2.09 > 0 > 4 > 0 > -4.234383833299075 > 55.900000000000006 > 66.427 > 0 > 1 > 2.13e+00 g/l > (3R,3aR,6aR,9aR,9bR)-6,9-dimethylidene-hexahydro-3aH-spiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,8-dione > 0 > NP0078161 > 11,13-Epoxy-3-ketodehydrocostus-lactone $$$$