Mrv1652309032204362D 27 29 0 0 1 0 999 V2000 1.3249 -3.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 -2.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4243 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -2.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3523 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.9979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0668 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -5.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -3.5854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4957 -3.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4957 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 2 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 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 6 0 0 0 14 27 1 0 0 0 0 27 10 1 6 0 0 0 5 27 1 0 0 0 0 M END > NP0167090 > NP-MRD > CC(=O)O[C@@]1(C)CC(O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 > InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8-,9?,10+,11+,12+,13-,14+,15-,16-,17-/m0/s1 > FLOXQRMTDDOZKF-ZLIJWMGLSA-N > C17H26O10 > 390.385 > 390.152597037 > 9 > 53 > 37.96306309977578 > 1 > 5 > 0 > 0 > (1S,4aR,7S,7aS)-5-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetate > -1.42 > -2.415177124 > -1.01 > 0 > 3 > 0 > 13.188507853282587 > 12.205854848469425 > -2.897552633613734 > 155.14000000000001 > 87.21230000000004 > 5 > 1 > 3.83e+01 g/l > (1S,4aR,7S,7aS)-5-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl acetate > 0 > NP0167090 > (1s,4ar,7s,7as)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate $$$$