Mrv1652309082210432D 34 37 0 0 1 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7676 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0051 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2426 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7275 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 2.9684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3326 2.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 3.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4683 4.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 3.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4726 4.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1801 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4699 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2949 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1726 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 6 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 1 0 0 0 14 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 1 0 0 0 10 32 1 0 0 0 0 7 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 6 0 0 0 M END > NP0264927 > NP-MRD > C[C@@H]1[C@H]2C[C@H](O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@](C)(O)[C@H]2OCC1=O > InChI=1S/C21H34O13/c1-8-9-3-12(20(2,28)17(9)30-4-10(8)23)34-18-15(26)14(25)13(24)11(33-18)5-31-19-16(27)21(29,6-22)7-32-19/h8-9,11-19,22,24-29H,3-7H2,1-2H3/t8-,9-,11-,12+,13-,14+,15-,16+,17+,18+,19-,20-,21-/m1/s1 > KQSPLYKGVKSJHQ-PCHLGBRCSA-N > C21H34O13 > 494.49 > 494.199941155 > 13 > 68 > 48.27272706831261 > 0 > 7 > 0 > 0 > (4R,4aR,6S,7R,7aS)-6-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-4,7-dimethyl-octahydrocyclopenta[b]pyran-3-one > -3.374073399666667 > 1 > 4 > 0 > 12.268352151282706 > 11.68763531841119 > -3.1423790163389214 > 204.82999999999998 > 108.17490000000002 > 6 > 0 > (4R,4aR,6S,7R,7aS)-6-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one > 0 > NP0264927 > (4r,4ar,6s,7r,7as)-6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one $$$$