Mrv1652304292201182D 28 30 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 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 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 C 0 0 2 0 0 0 0 0 0 0 0 0 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 0.3873 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3374 2.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 2.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 3.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2977 3.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 2.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 0.7284 0.0000 O 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 2.1434 -0.4125 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 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8163 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 -2.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 -2.3784 0.0000 C 0 0 0 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 -1.5390 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 0.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -0.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 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 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 10 14 1 0 0 0 0 7 15 1 1 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 19 22 1 1 0 0 0 6 23 1 6 0 0 0 1 24 1 1 0 0 0 1 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M END > NP0078179 > NP-MRD > CC(=O)O[C@@]1(C)C(=O)C[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCC1=COC=C1 > InChI=1S/C22H32O6/c1-15(24)28-21(4)18(25)12-17-19(2,14-23)8-5-9-20(17,3)22(21,26)10-6-16-7-11-27-13-16/h7,11,13,17,23,26H,5-6,8-10,12,14H2,1-4H3/t17-,19+,20-,21-,22-/m0/s1 > CJAPKANNYVSMFT-KVEDYDLGSA-N > C22H32O6 > 392.492 > 392.21988875 > 4 > 60 > 42.392953230777024 > 1 > 2 > 0 > 1 > (1S,2R,4aS,5S,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3-oxo-decahydronaphthalen-2-yl acetate > 2.58 > 2.699532514333332 > -3.85 > 1 > 3 > 0 > 17.67577282435658 > 13.143518605630149 > -1.1902786374781718 > 96.97 > 102.954 > 6 > 1 > 5.51e-02 g/l > (1S,2R,4aS,5S,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3-oxo-tetrahydro-4H-naphthalen-2-yl acetate > 0 > NP0078179 > 19-Hydroxygaleopsin $$$$