Mrv0541 11211310052D 42 46 0 0 1 0 999 V2000 7.2367 -8.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2367 -8.9128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9513 -9.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6657 -8.9128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6657 -8.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9513 -7.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -6.2728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3080 -7.0978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0225 -7.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7370 -7.0978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7370 -6.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0225 -5.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -5.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8892 -6.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -7.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 -8.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 -9.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9513 -10.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3912 -9.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 -5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 -5.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 -5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -4.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3093 -5.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3093 -5.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -4.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -7.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -7.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -4.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0151 -4.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 -5.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4297 -4.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4297 -3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7296 -3.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0151 -3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1525 -3.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -2.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4440 -2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 -5.8603 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 1 0 0 0 13 14 1 0 0 0 0 8 15 1 6 0 0 0 9 16 1 1 0 0 0 10 17 1 6 0 0 0 1 17 1 6 0 0 0 2 18 1 1 0 0 0 3 19 1 6 0 0 0 4 20 1 6 0 0 0 21 42 2 0 0 0 0 42 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 26 30 2 0 0 0 0 22 31 1 0 0 0 0 21 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 33 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 11 42 1 1 0 0 0 M END > CHEBI:75396 > 2''-O-alpha-L-arabinopyranosylisoscoparin > A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an α-L-arabinopyranosyl residue. > 3 > isoscoparin 2''-O-arabinoside > (1S)-1,5-anhydro-2-O-alpha-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol > C27H30O15 > 594.51810 > 594.15847 > 0 > COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1 > InChI=1S/C27H30O15/c1-38-15-4-9(2-3-10(15)29)14-5-11(30)18-16(40-14)6-12(31)19(22(18)35)25-26(23(36)21(34)17(7-28)41-25)42-27-24(37)20(33)13(32)8-39-27/h2-6,13,17,20-21,23-29,31-37H,7-8H2,1H3/t13-,17+,20-,21+,23-,24+,25-,26+,27-/m0/s1 > KUWGHIQQQGCUJX-ORNBPAKCSA-N $$$$