Mrv1652304282205442D 19 20 0 0 1 0 999 V2000 2.0871 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.9365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7502 1.7084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5643 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1925 2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 2.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 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 1 11 1 0 0 0 0 11 12 2 0 0 0 0 9 13 1 1 0 0 0 8 14 1 0 0 0 0 6 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 5 18 1 1 0 0 0 18 19 2 0 0 0 0 M END > NP0058384 > NP-MRD > C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)C(=O)C[C@@H]1O > InChI=1S/C15H18O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11,13-14,17H,1,3-5,7H2,2H3/b9-6+/t11-,13-,14+/m0/s1 > AGPIUDYJZWWHMF-FQWAFBASSA-N > C15H18O4 > 262.305 > 262.12050906 > 3 > 37 > 26.717770062308638 > 1 > 1 > 0 > 1 > (3aS,9S,11aR)-9-hydroxy-10-methyl-3,6-dimethylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2,7-dione > 1.05 > 2.131913348666667 > -2.29 > 0 > 2 > 0 > 18.297530118013064 > 14.42037865488878 > -3.0521180893897695 > 63.6 > 70.9286 > 0 > 1 > 1.34e+00 g/l > (3aS,9S,11aR)-9-hydroxy-10-methyl-3,6-dimethylidene-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2,7-dione > 0 > NP0058384 > 3beta-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12,6alpha-olide $$$$