Mrv1533004151517482D 27 28 0 0 0 0 999 V2000 -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 0.0000 -1.6500 0.0000 C 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 -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 -0.0980 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.3627 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 1.4289 0.8250 0.0000 O 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 3.8545 0.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 0.0762 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 2.8579 -1.6500 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 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 0 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 1.0416 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2664 -2.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -3.7489 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0276526 > NP-MRD > CCC(C)C1C(C)(O)C(=O)C2CC(O)(CO)CC(C)C2C1(C)C(=O)CCO > InChI=1S/C21H36O6/c1-6-12(2)17-19(4,15(24)7-8-22)16-13(3)9-21(27,11-23)10-14(16)18(25)20(17,5)26/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3 > GZZDPJWUAOGKFV-UHFFFAOYSA-N > C21H36O6 > 384.513 > 384.251188879 > 6 > 63 > 42.6732562755812 > 1 > 4 > 0 > 1 > 3-(butan-2-yl)-2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-2,4,5-trimethyl-decahydronaphthalen-1-one > 1.27 > 1.5085565839999981 > -2.50 > 0 > 2 > 0 > 13.877370566611159 > 12.929051223379911 > -2.4410894367854397 > 115.06000000000002 > 102.29159999999999 > 6 > 1 > 1.21e+00 g/l > 2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-2,4,5-trimethyl-3-(sec-butyl)-hexahydronaphthalen-1-one > 0 > NP0276526 > 2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxypropanoyl)-2,4,5-trimethyl-3-(sec-butyl)-hexahydronaphthalen-1-one $$$$