Mrv1652304282211482D 32 35 0 0 1 0 999 V2000 -0.7145 -0.4125 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 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 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 1 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 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 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 2.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 2.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 8 11 1 6 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 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 14 19 1 0 0 0 0 19 20 1 1 0 0 0 18 21 1 1 0 0 0 17 22 1 1 0 0 0 7 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 25 29 2 0 0 0 0 7 30 1 1 0 0 0 4 31 1 6 0 0 0 3 32 1 0 0 0 0 M END > NP0065622 > NP-MRD > CC1=CCC[C@@H]2[C@](C)(CCC3=COC=C3)[C@@H](CC[C@@]12C)C(=O)O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O > InChI=1S/C25H36O7/c1-15-5-4-6-19-24(15,2)11-8-17(25(19,3)10-7-16-9-12-30-13-16)22(29)32-23-21(28)20(27)18(26)14-31-23/h5,9,12-13,17-21,23,26-28H,4,6-8,10-11,14H2,1-3H3/t17-,18+,19-,20+,21+,23-,24-,25+/m0/s1 > AJYCNUBKMVTZPO-UHWUJQKSSA-N > C25H36O7 > 448.556 > 448.246103499 > 5 > 68 > 48.244545357599925 > 1 > 3 > 0 > 1 > (2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-2-carboxylate > 3.34 > 3.183612746333334 > -3.80 > 1 > 4 > 0 > 13.398469858410152 > 12.230708093410481 > -2.7727058838008007 > 109.36000000000001 > 117.5194 > 6 > 1 > 7.03e-02 g/l > (2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl (1S,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylate > 0 > NP0065622 > 1'-O-Bacchabolivyl xylopyranoside $$$$