Mrv1652306242117273D 47 50 0 0 0 0 999 V2000 -2.7973 -4.3098 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 -2.9345 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -2.0775 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 -2.6714 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 -0.6697 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -0.1583 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3063 -1.0794 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 1.2028 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 2.0891 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 3.4547 0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 4.1205 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.5868 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 0.2205 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -0.6574 -0.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -0.2995 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 -1.3974 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 -2.6025 0.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8063 -1.3507 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 -2.5922 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -0.1996 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 -0.0690 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 0.9390 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 0.8652 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 2.2492 -0.9029 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1274 2.6327 0.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 2.8105 -0.0229 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9712 3.0461 -1.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 2.3081 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 2.8050 -0.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -4.6866 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 -4.5268 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 -4.8960 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -1.8223 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.5921 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 -0.4354 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3034 1.5819 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 5.0935 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 4.4405 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 3.6018 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 -3.4178 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5754 -2.4216 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 -2.9896 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 -3.3965 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -0.8298 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 2.2295 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 3.6178 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 3.1882 -1.0974 H 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 13 5 1 0 0 0 0 23 15 1 0 0 0 0 26 12 1 0 0 0 0 28 22 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 17 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 44 1 0 0 0 0 24 45 1 6 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > NP0016157 > NP-MRD > [H]OC1=C(C(O[H])=C2OC3=C(C(OC([H])([H])[H])=C([H])C(=C3C(=O)OC([H])([H])[H])C([H])([H])[H])C([H])([H])O[C@@]3([H])OC(=O)C1=C23)C([H])([H])[H] > InChI=1S/C20H18O9/c1-7-5-10(25-3)9-6-27-20-13-12(19(24)29-20)14(21)8(2)15(22)17(13)28-16(9)11(7)18(23)26-4/h5,20-22H,6H2,1-4H3/t20-/m0/s1 > QECYITLUHSSOGN-FQEVSTJZSA-N > C20H18O9 > 402.355 > 402.09508216 > 6 > 47 > 40.51038359563854 > 1 > 2 > 0 > 1 > methyl (11S)-15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.0^{3,8}.0^{14,18}]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4-carboxylate > 2.41 > 3.973884961333332 > -3.38 > 0 > 4 > 0 > 10.710451528291559 > 7.7732580891545675 > -3.6767235902152406 > 120.75000000000003 > 99.74709999999999 > 3 > 1 > 1.70e-01 g/l > methyl (11S)-15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.0^{3,8}.0^{14,18}]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4-carboxylate > 0 > NP0016157 > Lobariether A $$$$