Mrv1533004171506062D 21 23 0 0 0 0 999 V2000 1.3431 3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 2.9069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 7 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 5 21 1 0 0 0 0 15 21 1 0 0 0 0 M END > NP0319493 > NP-MRD > CC(=O)OC1CC(=C)C2CCC(=C)C2C2OC(=O)C(=C)C12 > InChI=1S/C17H20O4/c1-8-5-6-12-9(2)7-13(20-11(4)18)15-10(3)17(19)21-16(15)14(8)12/h12-16H,1-3,5-7H2,4H3 > CUWFJPQKQVXKCT-UHFFFAOYSA-N > C17H20O4 > 288.343 > 288.136159124 > 2 > 41 > 30.322031031273788 > 1 > 0 > 0 > 1 > 3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl acetate > 2.04 > 2.1712188276666673 > -3.00 > 0 > 3 > 0 > -6.632418616789204 > 52.6 > 76.6936 > 2 > 1 > 2.89e-01 g/l > 3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate > 0 > NP0319493 > 3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate $$$$