Mrv1652309122211582D 29 29 0 0 1 0 999 V2000 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 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 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 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 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 15 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 M END > NP0327412 > NP-MRD > CC(=O)OC[C@H]1O[C@@H](OCCC(=C)CC\C=C(/C)C=O)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O > InChI=1S/C20H30O9/c1-12(6-5-7-13(2)10-21)8-9-26-20-19(28-15(4)23)18(25)17(24)16(29-20)11-27-14(3)22/h7,10,16-20,24-25H,1,5-6,8-9,11H2,2-4H3/b13-7+/t16-,17-,18+,19-,20-/m1/s1 > SPUFLMMXZLACMX-BULRUFHISA-N > C20H30O9 > 414.451 > 414.188982546 > 7 > 59 > 43.39692283370966 > 1 > 2 > 0 > 1 > [(2R,3S,4S,5R,6R)-5-(acetyloxy)-3,4-dihydroxy-6-{[(6E)-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate > 0.5489010280000008 > 0 > 1 > 0 > 14.131165325320747 > 12.700595940893532 > -3.6498068862523105 > 128.59 > 101.77170000000002 > 13 > 1 > [(2R,3S,4S,5R,6R)-5-(acetyloxy)-3,4-dihydroxy-6-{[(6E)-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate > 0 > NP0327412 > [(2r,3s,4s,5r,6r)-5-(acetyloxy)-3,4-dihydroxy-6-{[(6e)-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate $$$$