Mrv1652304282205582D 26 27 0 0 1 0 999 V2000 -1.4289 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 O 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 1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 3.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 4.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 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 6 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 5 11 1 6 0 0 0 5 12 1 1 0 0 0 12 13 2 0 0 0 0 4 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 3 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 2 24 1 6 0 0 0 24 25 2 0 0 0 0 1 26 1 1 0 0 0 M END > NP0058639 > NP-MRD > CC[C@@H](C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@H](C(=C)CO)[C@]1(C)C=C > InChI=1S/C20H28O6/c1-7-10(3)18(23)26-17-16-13(12(5)19(24)25-16)15(22)14(11(4)9-21)20(17,6)8-2/h8,10,13-17,21-22H,2,4-5,7,9H2,1,3,6H3/t10-,13+,14-,15+,16-,17+,20+/m1/s1 > VZYJIIMMRTVQKI-HKEBKUIPSA-N > C20H28O6 > 364.438 > 364.188588622 > 4 > 54 > 39.020900126737764 > 1 > 2 > 0 > 1 > (3aS,4R,5S,6S,7R,7aR)-6-ethenyl-4-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-octahydro-1-benzofuran-7-yl (2R)-2-methylbutanoate > 1.94 > 2.1799540653333334 > -2.60 > 0 > 2 > 0 > 15.237810312970456 > 14.344330803921341 > -2.7283790958561482 > 93.06000000000002 > 95.47349999999999 > 7 > 1 > 9.15e-01 g/l > (3aS,4R,5S,6S,7R,7aR)-6-ethenyl-4-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-tetrahydro-3aH-1-benzofuran-7-yl (2R)-2-methylbutanoate > 0 > NP0058639 > Zinaflavin H $$$$