Mrv1652306242117273D 53 57 0 0 0 0 999 V2000 -2.2524 1.9366 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 1.3712 -0.3866 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4294 -0.0315 -0.5851 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0606 -0.8929 0.6087 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1411 -1.8935 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 -1.6465 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -2.7953 -0.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -1.4588 0.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4388 -2.3227 1.0723 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7623 -1.5361 1.0627 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1977 -1.5114 -0.4112 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5991 -1.7154 -0.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9934 -0.1667 -1.0142 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3370 -0.2159 -2.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 0.3744 -0.8043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -0.0789 0.3577 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7893 0.8200 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 1.4031 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 2.1858 1.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 1.1043 2.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4638 2.0833 3.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6637 0.0326 2.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 -0.1724 1.3621 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2538 0.9440 1.1044 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9050 0.8046 -0.2478 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9510 2.1262 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1895 0.3497 -0.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.6440 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 2.5749 -2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 1.1611 -2.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 2.0157 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 -0.0477 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9939 -0.4379 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9313 -0.2811 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -2.3885 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 -2.7000 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1213 -1.4109 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 -1.8210 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 -3.3485 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 -2.2707 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 -1.9646 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -2.3650 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 -2.1817 -1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -0.2175 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9152 0.6214 -3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -1.1541 -2.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 3.1848 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 1.0964 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 1.8896 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 2.7493 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 2.6077 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 1.9047 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 1.0421 -0.3206 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 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 1 0 0 0 18 2 1 0 0 0 0 16 8 1 0 0 0 0 23 10 1 0 0 0 0 25 13 1 0 0 0 0 23 16 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 1 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 1 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 8 38 1 6 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 1 0 0 0 11 42 1 6 0 0 0 12 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 19 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END > NP0016399 > NP-MRD > [H]O\C1=C2/C(=O)O[C@]34C([H])([H])[C@](O[H])(C([H])([H])[H])[C@@]5(O[C@]23[C@]([H])(C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])[H])C([H])([H])[C@@]4([H])[C@]5([H])O[H])C([H])([H])[H] > InChI=1S/C20H26O7/c1-8-5-9(2)14(22)12-16(24)26-19-7-17(3,25)18(4)15(23)11(19)6-10(13(8)21)20(12,19)27-18/h8-11,15,22-23,25H,5-7H2,1-4H3/b14-12+/t8-,9+,10+,11+,15+,17-,18-,19+,20-/m1/s1 > YRHNGCYCZRXGLY-KDKGGNBNSA-N > C20H26O7 > 378.421 > 378.167853177 > 6 > 53 > 37.920022399470625 > 1 > 3 > 0 > 1 > (1R,2S,3S,5R,7R,9S,14S,16R,18R)-2,10,16-trihydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione > 0.29 > 0.4660337783333333 > -2.05 > 0 > 5 > 0 > 13.362872257722287 > 9.331912567832456 > -3.368360476047765 > 113.29000000000002 > 93.27189999999997 > 0 > 1 > 3.37e+00 g/l > (1R,2S,3S,5R,7R,9S,14S,16R,18R)-2,10,16-trihydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione > 0 > NP0016399 > Abyssomicin M $$$$