Mrv1533004251512262D 23 24 0 0 0 0 999 V2000 0.0000 -4.1250 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 1.4289 -4.1250 0.0000 O 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 C 0 0 0 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 0.7145 -0.4125 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 2.1434 -0.4125 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 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 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 3.8545 -2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -2.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -2.9313 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 6 18 1 0 0 0 0 10 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > NP0296827 > NP-MRD > CC(=O)OCC1=CC=CC2(C)CC(=O)C(O)(CC12)C(O)C(C)=O > InChI=1S/C17H22O6/c1-10(18)15(21)17(22)7-13-12(9-23-11(2)19)5-4-6-16(13,3)8-14(17)20/h4-6,13,15,21-22H,7-9H2,1-3H3 > JIUVKCBCJDBPJJ-UHFFFAOYSA-N > C17H22O6 > 322.357 > 322.141638428 > 5 > 45 > 32.733641149113886 > 1 > 2 > 0 > 1 > [7-hydroxy-7-(1-hydroxy-2-oxopropyl)-4a-methyl-6-oxo-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]methyl acetate > 0.91 > 0.0019183339999992444 > -2.72 > 0 > 2 > 0 > 13.115836320073246 > 11.684507558875849 > -4.060997600134956 > 100.9 > 83.7911 > 5 > 1 > 6.21e-01 g/l > [7-hydroxy-7-(1-hydroxy-2-oxopropyl)-4a-methyl-6-oxo-8,8a-dihydro-5H-naphthalen-1-yl]methyl acetate > 0 > NP0296827 > [7-hydroxy-7-(1-hydroxy-2-oxopropyl)-4a-methyl-6-oxo-8,8a-dihydro-5h-naphthalen-1-yl]methyl acetate $$$$