Mrv1533004171509132D 22 24 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 5.5607 -1.1574 0.0000 O 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 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 5 22 1 0 0 0 0 16 22 1 0 0 0 0 M END > NP0182268 > NP-MRD > CC(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12 > InChI=1S/C17H20O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h11-16,19H,1-3,5-6H2,4H3 > VMABHCXZIFTMHL-UHFFFAOYSA-N > C17H20O5 > 304.342 > 304.131073744 > 3 > 42 > 31.038963295828935 > 1 > 1 > 0 > 1 > 8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl acetate > 0.91 > 0.9404077606666665 > -2.32 > 0 > 3 > 0 > 14.60001947836695 > -2.9737514801622957 > 72.83000000000001 > 78.20909999999999 > 2 > 1 > 1.46e+00 g/l > 8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate > 0 > NP0182268 > 8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate $$$$