Mrv1652304282210162D 25 27 0 0 1 0 999 V2000 -1.7420 -2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -2.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -2.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 -2.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3611 -1.4748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5977 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 -1.5637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2026 -1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0428 -1.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 -1.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4873 -1.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 -2.2914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8818 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 -3.7052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0746 -3.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -2.7132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2739 -2.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -3.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 -2.3007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1551 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -2.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -4.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 -4.5265 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 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 1 0 0 0 5 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 6 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 1 16 1 0 0 0 0 16 17 1 6 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 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 6 0 0 0 14 25 1 1 0 0 0 M END > NP0063973 > NP-MRD > CC[C@@H](C)C(=O)O[C@@H]1C[C@@](C)(O)C2=C1[C@H](C)C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C2 > InChI=1S/C20H30O5/c1-6-10(2)18(21)25-16-9-20(5,23)14-8-13-12(4)19(22)24-15(13)7-11(3)17(14)16/h10-13,15-16,23H,6-9H2,1-5H3/t10-,11-,12+,13+,15+,16-,20-/m1/s1 > GDSQXEJVFDDBEU-MIVWJCSYSA-N > C20H30O5 > 350.455 > 350.209324066 > 3 > 55 > 38.8292245770359 > 1 > 1 > 0 > 1 > (3S,3aS,5R,7R,8R,9aS)-5-hydroxy-3,5,8-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,9H,9aH-azuleno[6,5-b]furan-7-yl (2R)-2-methylbutanoate > 3.00 > 2.6900587316666664 > -3.43 > 0 > 3 > 0 > 14.328885335999384 > -3.0923455540338693 > 72.83 > 93.3043 > 4 > 1 > 1.29e-01 g/l > (3S,3aS,5R,7R,8R,9aS)-5-hydroxy-3,5,8-trimethyl-2-oxo-3H,3aH,4H,6H,7H,8H,9H,9aH-azuleno[6,5-b]furan-7-yl (2R)-2-methylbutanoate > 0 > NP0063973 > Deoxyarctolide $$$$