Mrv1652304282211232D 23 24 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 -1.4289 0.0000 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 2 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 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 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 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 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 -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 1 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 2.8579 -1.6500 0.0000 O 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 2 2 0 0 0 0 1 3 1 0 0 0 0 3 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 10 14 1 0 0 0 0 6 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 5 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 2 0 0 0 0 18 21 1 1 0 0 0 17 22 1 6 0 0 0 6 23 1 1 0 0 0 M END > NP0065117 > NP-MRD > C\C(CC[C@H]1C(=C)CC[C@@H]2[C@@]1(C)CC[C@H](O)[C@]2(C)C=O)=C/CO > InChI=1S/C20H32O3/c1-14(10-12-21)5-7-16-15(2)6-8-17-19(16,3)11-9-18(23)20(17,4)13-22/h10,13,16-18,21,23H,2,5-9,11-12H2,1,3-4H3/b14-10+/t16-,17+,18-,19-,20+/m0/s1 > LHFRWJDSLFOXLZ-FPWGDBIJSA-N > C20H32O3 > 320.473 > 320.23514489 > 3 > 55 > 37.41756413687453 > 1 > 2 > 0 > 1 > (1R,2S,4aS,5S,8aR)-2-hydroxy-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carbaldehyde > 3.54 > 2.961575726000001 > -3.92 > 0 > 2 > 0 > 16.337059920684542 > 14.535664168569554 > -2.217044720353715 > 57.53 > 94.3611 > 5 > 1 > 3.83e-02 g/l > (1R,2S,4aS,5S,8aR)-2-hydroxy-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carbaldehyde > 0 > NP0065117 > 3beta-Hydroxyisoagatholal $$$$