Mrv1652309122213002D 25 27 0 0 1 0 999 V2000 2.5158 3.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 1.6561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0428 0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 0.3212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8129 -0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -0.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8748 -1.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6817 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -2.3757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7437 -2.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 -1.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 -2.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6396 -3.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 -2.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0256 -3.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3227 -2.0326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5158 -1.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 0.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9483 0.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 1.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 1.4012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 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 12 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 1 0 0 0 7 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 24 1 6 0 0 0 21 25 1 0 0 0 0 5 25 1 0 0 0 0 M END > NP0327966 > NP-MRD > CC(C)=C[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1OC2=O > InChI=1S/C16H24O9/c1-6(2)3-7-14-10(15(21)25-14)9(23-7)5-22-16-13(20)12(19)11(18)8(4-17)24-16/h3,7-14,16-20H,4-5H2,1-2H3/t7-,8-,9+,10+,11-,12+,13-,14-,16-/m1/s1 > SYRQWOHSFOHYCI-RDRHTQILSA-N > C16H24O9 > 360.359 > 360.142032353 > 8 > 49 > 35.546689617861205 > 1 > 4 > 0 > 0 > (1S,2R,4R,5S)-4-(2-methylprop-1-en-1-yl)-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dioxabicyclo[3.2.0]heptan-7-one > -1.3256835753333336 > 0 > 3 > 0 > 13.200205476743776 > 12.210858532149176 > -2.981083422290693 > 134.91 > 81.5189 > 5 > 1 > (1S,2R,4R,5S)-4-(2-methylprop-1-en-1-yl)-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dioxabicyclo[3.2.0]heptan-7-one > 0 > NP0327966 > (1s,2r,4r,5s)-4-(2-methylprop-1-en-1-yl)-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dioxabicyclo[3.2.0]heptan-7-one $$$$