Mrv1652309122213132D 39 43 0 0 1 0 999 V2000 3.1304 -4.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 -3.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -4.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -3.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -3.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9538 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -1.6677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0144 -2.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.2503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0595 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -0.4253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0708 -0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 0.8171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7938 1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7994 2.0496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5167 2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5224 3.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 2.4670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0935 3.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 1.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3524 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -0.4351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6021 0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -1.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 -1.2601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6960 -3.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -4.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -4.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 -4.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 -3.6383 0.0000 C 0 0 0 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 0 0 0 0 7 6 1 1 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 6 0 0 0 11 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 25 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 33 1 6 0 0 0 25 34 1 0 0 0 0 7 34 1 0 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 35 39 2 0 0 0 0 M END > NP0328077 > NP-MRD > C[C@@H]1[C@@H](C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](OC(C)=O)C1=COC=C1)O[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O > InChI=1S/C28H36O11/c1-14-18(38-26-24(33)23(32)22(31)20(11-29)39-26)10-28-13-36-25(34)17(28)5-4-6-21(28)27(14,3)9-19(37-15(2)30)16-7-8-35-12-16/h5,7-8,12,14,18-22,24,26,29,31,33H,4,6,9-11,13H2,1-3H3/t14-,18-,19-,20-,21-,22-,24-,26-,27+,28-/m1/s1 > DVPUJFIVRJPQPY-OAINTHKMSA-N > C28H36O11 > 548.585 > 548.225761979 > 8 > 75 > 55.073642616772915 > 1 > 3 > 0 > 0 > (1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate > 1.4402364559999985 > 1 > 5 > 0 > 12.340535618124026 > 11.12689683076447 > -2.861470507021485 > 161.96000000000004 > 133.26519999999996 > 8 > 0 > (1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate > 0 > NP0328077 > (1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate $$$$