Mrv1652309112210542D 30 31 0 0 1 0 999 V2000 3.5842 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 0.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 0.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 0.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0131 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7276 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 -0.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7242 0.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5973 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1276 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9401 0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8795 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5367 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 -1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 -1.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 -1.5830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2986 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -2.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -1.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8697 -1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8697 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 8 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 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 21 22 1 0 0 0 0 8 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 5 29 1 0 0 0 0 29 30 1 6 0 0 0 M END > NP0312265 > NP-MRD > CC(C)[C@@H]1CC\C(C)=C\CC[C@@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)\C=C\1 > InChI=1S/C23H38O7/c1-14(2)17-9-8-15(3)7-6-11-23(5,12-10-17)30-22-21(28-16(4)25)20(27)19(26)18(13-24)29-22/h7,10,12,14,17-22,24,26-27H,6,8-9,11,13H2,1-5H3/b12-10+,15-7+/t17-,18-,19-,20+,21-,22+,23-/m1/s1 > FEPMKPCIGUXEGE-CFMXMGDUSA-N > C23H38O7 > 426.55 > 426.261753564 > 6 > 68 > 46.76387485262239 > 1 > 3 > 0 > 1 > (2S,3R,4S,5S,6R)-2-{[(1R,2E,4S,7E)-1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-dien-1-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate > 2.7038668319999997 > 0 > 2 > 0 > 14.017529006066521 > 12.695641934691682 > -2.9810844974053534 > 105.45000000000002 > 113.94190000000002 > 6 > 1 > (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1R,2E,4S,7E)-4-isopropyl-1,7-dimethylcyclodeca-2,7-dien-1-yl]oxy}oxan-3-yl acetate > 0 > NP0312265 > (2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1r,2e,4s,7e)-4-isopropyl-1,7-dimethylcyclodeca-2,7-dien-1-yl]oxy}oxan-3-yl acetate $$$$