Mrv1652304282205582D 25 26 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 2 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 0.0000 2.4750 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 0.0000 3.3000 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 3.7125 0.0000 C 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 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 0 0 0 0 17 19 1 0 0 0 0 3 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 2 23 1 6 0 0 0 23 24 2 0 0 0 0 1 25 1 1 0 0 0 M END > NP0058638 > NP-MRD > CC(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/C19H26O6/c1-7-19(6)13(10(4)8-20)14(21)12-11(5)18(23)24-15(12)16(19)25-17(22)9(2)3/h7,9,12-16,20-21H,1,4-5,8H2,2-3,6H3/t12-,13+,14-,15-,16-,19-/m0/s1 > QHGDKZQMPXMMNE-AOWFHFJHSA-N > C19H26O6 > 350.411 > 350.172938557 > 4 > 51 > 35.97667735109553 > 1 > 2 > 0 > 1 > (3aS,4R,5S,6S,7R,7aS)-6-ethenyl-4-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-octahydro-1-benzofuran-7-yl 2-methylpropanoate > 1.39 > 1.7353854003333335 > -2.42 > 0 > 2 > 0 > 15.237810312972062 > 14.344330803930223 > -2.7283790958561465 > 93.06000000000002 > 90.87249999999999 > 6 > 1 > 1.32e+00 g/l > (3aS,4R,5S,6S,7R,7aS)-6-ethenyl-4-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-tetrahydro-3aH-1-benzofuran-7-yl 2-methylpropanoate > 0 > NP0058638 > Zinaflavin G $$$$