Mrv1652304282205552D 27 29 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 1 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 2.2534 0.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 1.5246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8949 2.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 1.9120 0.0000 O 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 -1.4289 -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 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 6 0 0 0 5 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 6 0 0 0 4 15 1 6 0 0 0 3 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 2 19 1 6 0 0 0 19 20 2 0 0 0 0 1 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 M END > NP0058582 > 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@@H]2CO2)[C@H]1C(=C)C=O > InChI=1S/C20H24O7/c1-6-9(2)18(23)26-15-13-11(4)19(24)27-16(13)17(22)20(5,12-8-25-12)14(15)10(3)7-21/h6-7,12-17,22H,3-4,8H2,1-2,5H3/b9-6-/t12-,13-,14-,15-,16-,17-,20-/m0/s1 > KHETWGVZAJUMQY-PKRNXNGLSA-N > C20H24O7 > 376.405 > 376.152203113 > 5 > 51 > 37.67305053899924 > 1 > 1 > 0 > 1 > (3aS,4R,5S,6S,7R,7aS)-7-hydroxy-6-methyl-3-methylidene-6-[(2R)-oxiran-2-yl]-2-oxo-5-(3-oxoprop-1-en-2-yl)-octahydro-1-benzofuran-4-yl (2Z)-2-methylbut-2-enoate > 1.44 > 1.6875393976666673 > -2.46 > 1 > 3 > 0 > 13.607139695306866 > -3.408037097272774 > 102.43 > 94.9485 > 6 > 1 > 1.30e+00 g/l > (3aS,4R,5S,6S,7R,7aS)-7-hydroxy-6-methyl-3-methylidene-6-[(2R)-oxiran-2-yl]-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3aH-1-benzofuran-4-yl (2Z)-2-methylbut-2-enoate > 0 > NP0058582 > Zinaflorin II $$$$