Mrv1652304282205422D 25 26 0 0 1 0 999 V2000 6.1368 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4223 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4223 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 1.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9374 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 2.4750 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 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 9 17 1 6 0 0 0 8 18 1 1 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 7 22 1 6 0 0 0 5 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0058353 > NP-MRD > CC(C)C(=O)N[C@@H]1[C@@H](O)[C@H]2[C@@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O > InChI=1S/C19H25NO5/c1-10(2)18(23)20-16-13(9-21)7-5-6-11(3)8-14-15(17(16)22)12(4)19(24)25-14/h7-10,14-17,22H,4-6H2,1-3H3,(H,20,23)/b11-8+,13-7-/t14-,15+,16-,17-/m0/s1 > WBVFVTLURIXLLJ-UXDHSSDNSA-N > C19H25NO5 > 347.411 > 347.173272909 > 4 > 50 > 36.08406037496256 > 1 > 2 > 0 > 1 > N-[(3aS,4S,5S,11aS)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl]-2-methylpropanamide > 1.25 > 1.5405719780000016 > -2.68 > 0 > 2 > 0 > 14.109624528574091 > 13.136697117653657 > -0.9247425981283203 > 92.70000000000002 > 93.81909999999998 > 3 > 1 > 7.30e-01 g/l > N-[(3aS,4S,5S,11aS)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl]-2-methylpropanamide > 0 > NP0058353 > Acanthamolide $$$$