Mrv1652309092222202D 25 27 0 0 1 0 999 V2000 0.4243 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 2 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 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 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 2.6378 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.3646 0.0000 O 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 4.0668 -2.3479 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 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 4.0668 -3.9979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0668 -4.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -3.5854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 -3.9979 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 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 7 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 1 0 0 0 12 25 1 0 0 0 0 25 6 1 6 0 0 0 2 25 1 0 0 0 0 M END > NP0289923 > NP-MRD > C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C=O > InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13-,14+,15+,16+/m1/s1 > XQUFDDXBHJINGZ-PSWNKMJPSA-N > C16H24O9 > 360.359 > 360.142032353 > 9 > 49 > 35.102924656265486 > 1 > 5 > 0 > 0 > (1S,4aS,7S,7aS)-7-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-4-carbaldehyde > -2.198306113 > 0 > 3 > 0 > 13.183872418050186 > 12.205311509303536 > -2.969880258404081 > 145.91000000000003 > 81.58570000000005 > 4 > 1 > (1S,4aS,7S,7aS)-7-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-4-carbaldehyde > 0 > NP0289923 > (1s,4as,7s,7as)-7-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-4-carbaldehyde $$$$