Mrv1652309092222432D 28 28 0 0 1 0 999 V2000 -3.7861 -4.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 -4.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -4.2043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9283 -5.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -4.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -3.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -4.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -2.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -2.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7864 -1.7419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9739 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 -1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 0.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 -1.0274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2797 -0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 -1.7419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9743 -1.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 -2.5543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8380 -2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 -3.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -3.0846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6688 -3.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -3.0846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2794 -3.8599 0.0000 C 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 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 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 6 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 6 0 0 0 22 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 6 0 0 0 M END > NP0290165 > NP-MRD > CCCC[C@@H](O)\C=C\C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](O)[C@@H]1C > InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14-,16-,17+,18-,20-/m1/s1 > YFWCDPYMHQAWJE-RQEDTLNGSA-N > C20H34O8 > 402.484 > 402.225368055 > 6 > 62 > 43.17208209714643 > 1 > 4 > 0 > 1 > (2S,3R,4S,5S,6R,7R,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2E,4R)-4-hydroxyoct-2-enoate > 1.4838219406666653 > 0 > 1 > 0 > 13.942911297287754 > 12.855964210228905 > -2.8715557607132585 > 133.52 > 101.7086 > 7 > 1 > (2S,3R,4S,5S,6R,7R,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2E,4R)-4-hydroxyoct-2-enoate > 0 > NP0290165 > (2s,3r,4s,5s,6r,7r,8r)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2e,4r)-4-hydroxyoct-2-enoate $$$$