Mrv1652304282205552D 26 27 0 0 1 0 999 V2000 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0945 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 5 11 1 1 0 0 0 5 12 1 6 0 0 0 12 13 2 0 0 0 0 4 14 1 6 0 0 0 3 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 2 18 1 6 0 0 0 18 19 2 0 0 0 0 1 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 M END > NP0058581 > NP-MRD > C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@H](O)[C@](C)(C=C)[C@H]1C(=C)C=O > InChI=1S/C20H24O6/c1-7-10(3)18(23)25-15-13-12(5)19(24)26-16(13)17(22)20(6,8-2)14(15)11(4)9-21/h7-9,13-17,22H,2,4-5H2,1,3,6H3/b10-7+/t13-,14-,15-,16-,17-,20+/m0/s1 > QBUQVCHSAZLAGJ-HXAXHKSSSA-N > C20H24O6 > 360.406 > 360.157288493 > 4 > 50 > 37.08473268197403 > 1 > 1 > 0 > 1 > (3aS,4R,5S,6R,7R,7aS)-6-ethenyl-7-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-octahydro-1-benzofuran-4-yl (2E)-2-methylbut-2-enoate > 1.55 > 2.5775226026666673 > -3.01 > 0 > 2 > 0 > 13.63428037138079 > -3.39616576555804 > 89.9 > 95.36649999999999 > 6 > 1 > 3.50e-01 g/l > (3aS,4R,5S,6R,7R,7aS)-6-ethenyl-7-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3aH-1-benzofuran-4-yl (2E)-2-methylbut-2-enoate > 0 > NP0058581 > Zinaflorin V $$$$