Mrv1652309092202572D 51 53 0 0 1 0 999 V2000 13.5749 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2247 2.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8122 3.4715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1477 4.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1486 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8719 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3871 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7348 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1322 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6171 -3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3072 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0522 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5165 -1.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5675 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0548 1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6423 1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8618 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 6 0 0 0 21 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 14 50 1 0 0 0 0 50 51 1 6 0 0 0 47 51 1 1 0 0 0 M END > NP0276693 > NP-MRD > CCCCC(=C)[C@H](O)C(\C)=C\C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)\C=C(C)/[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 > InChI=1S/C41H62O10/c1-9-10-12-23(2)39(46)24(3)13-11-14-34-35-16-15-31(49-35)20-30(42)18-26(5)32(43)21-33(44)29(8)25(4)17-28(7)40(47)41(48)37-19-27(6)36(50-37)22-38(45)51-34/h11,13-14,17,26-27,29,31,33-37,39-41,44,46-48H,2,7,9-10,12,15-16,18-22H2,1,3-6,8H3/b14-11+,24-13+,25-17-/t26-,27+,29+,31+,33-,34+,35+,36-,37+,39-,40+,41-/m0/s1 > RNKCEFQNDOJBLW-XERQRDFISA-N > C41H62O10 > 714.937 > 714.434298196 > 9 > 113 > 80.17228900467242 > 1 > 4 > 0 > 0 > (1R,2R,6S,7R,9R,10R,11R,13Z,15R,16S,19S,23R)-10,11,16-trihydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1^{6,9}]heptacos-13-ene-4,18,21-trione > 4.987227878333336 > 1 > 3 > 0 > 14.290590195476693 > 12.982295463387661 > -1.4083796534930917 > 159.82 > 197.77920000000006 > 7 > 0 > (1R,2R,6S,7R,9R,10R,11R,13Z,15R,16S,19S,23R)-10,11,16-trihydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1^{6,9}]heptacos-13-ene-4,18,21-trione > 0 > NP0276693 > (1r,2r,6s,7r,9r,10r,11r,13z,15r,16s,19s,23r)-10,11,16-trihydroxy-2-[(1e,3e,5s)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]heptacos-13-ene-4,18,21-trione $$$$