Mrv1652309112222032D 39 43 0 0 1 0 999 V2000 5.8135 4.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 3.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 3.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4348 2.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 0.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 1.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5913 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 -0.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 -2.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 -1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 -2.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 -0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -0.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 1.8605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2938 2.5117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8310 3.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 2.1410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9843 1.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 0.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.7704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9045 1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 2.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 3.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 3.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 4.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 3.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 3.2141 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 6 0 0 0 5 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 31 37 1 0 0 0 0 29 38 1 0 0 0 0 25 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > NP0319165 > NP-MRD > COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H]2[C@@H]1C=C[C@]21OC(=O)[C@H](CC2=CC=C(O)C=C2)C1O > InChI=1S/C26H30O13/c1-35-22(33)15-10-36-24(38-25-20(31)19(30)18(29)16(9-27)37-25)17-13(15)6-7-26(17)21(32)14(23(34)39-26)8-11-2-4-12(28)5-3-11/h2-7,10,13-14,16-21,24-25,27-32H,8-9H2,1H3/t13-,14-,16?,17-,18?,19?,20?,21?,24+,25?,26+/m1/s1 > LDPOHYHZJSBJQD-IQZSHBJISA-N > C26H30O13 > 550.513 > 550.168641026 > 11 > 69 > 53.732882377505746 > 0 > 6 > 0 > 0 > methyl (1S,4'R,4aS,7S,7aS)-3'-hydroxy-4'-[(4-hydroxyphenyl)methyl]-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxolane]-4-carboxylate > -0.6563588009999992 > 1 > 5 > 0 > 12.1814401302686 > 9.504018252895182 > -2.9810847602026866 > 201.67 > 127.99989999999998 > 7 > 0 > methyl (1S,4'R,4aS,7S,7aS)-3'-hydroxy-4'-[(4-hydroxyphenyl)methyl]-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxolane]-4-carboxylate > 0 > NP0319165 > methyl (1s,4'r,4as,7s,7as)-3'-hydroxy-4'-[(4-hydroxyphenyl)methyl]-5'-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-oxolane]-4-carboxylate $$$$