Mrv1652309072217182D 31 34 0 0 1 0 999 V2000 2.1066 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 0.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 1.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1050 0.8575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5364 1.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 2.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 3.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 2.6005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7801 2.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0253 2.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 1.1590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2269 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 0.8428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9859 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 1.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3364 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 2.0896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7970 2.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 2.2459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1768 3.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 1.6225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0961 1.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5020 0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 0.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7598 -0.0826 0.0000 O 0 0 0 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 1 0 0 0 0 5 2 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 6 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 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 1 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 14 28 1 0 0 0 0 11 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 6 0 0 0 M END > NP0251954 > NP-MRD > CC(C)(O)[C@H]1[C@@H]2OC(=O)[C@H]1[C@H]1CC[C@H](CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@]1(C)[C@H]2O > InChI=1S/C21H34O10/c1-20(2,28)12-11-9-5-4-8(21(9,3)17(26)16(12)31-18(11)27)7-29-19-15(25)14(24)13(23)10(6-22)30-19/h8-17,19,22-26,28H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14+,15+,16+,17+,19-,21-/m1/s1 > QYQKFNGMKVSCEB-LLSFGBQNSA-N > C21H34O10 > 446.493 > 446.215197295 > 9 > 65 > 44.95789788895855 > 1 > 6 > 0 > 0 > (1S,2R,5S,6S,7R,8S,11R)-7-hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.2.1.0^{2,6}]undecan-10-one > -2.071697777333333 > 0 > 4 > 0 > 13.090042643822585 > 12.196432142014094 > -2.8201963956776943 > 166.14000000000001 > 103.77390000000004 > 5 > 0 > (1S,2R,5S,6S,7R,8S,11R)-7-hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.2.1.0^{2,6}]undecan-10-one > 0 > NP0251954 > (1s,2r,5s,6s,7r,8s,11r)-7-hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-({[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.2.1.0²,⁶]undecan-10-one $$$$