Ketcher 06241510542D 1 1.00000 0.00000 0 37 40 0 1 0 999 V2000 16.1300 -25.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1300 -26.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9976 -27.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8653 -26.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8653 -25.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9976 -25.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7329 -27.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6005 -26.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6005 -25.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4575 -27.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4575 -28.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3252 -28.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1928 -28.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1928 -27.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3252 -26.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0594 -28.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7329 -28.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9976 -28.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 -25.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4069 -25.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5571 -25.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6895 -25.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6896 -26.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5392 -27.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4069 -26.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8084 -25.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5394 -28.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8116 -27.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2924 -27.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9491 -25.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7463 -25.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1014 -25.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 -25.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 -25.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 -25.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1013 -24.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3971 -24.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 10 15 1 0 0 0 13 16 1 0 0 0 7 17 2 0 0 0 3 18 1 0 0 0 1 19 1 0 0 0 20 19 1 1 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 20 25 1 0 0 0 22 26 1 1 0 0 24 27 1 1 0 0 23 28 1 6 0 0 25 29 1 6 0 0 26 30 1 0 0 0 5 31 1 0 0 0 31 9 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 32 36 2 0 0 0 34 37 2 0 0 0 M END > CHEBI:80372 > malonylgenistin > A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group. > 3 > CHEBI:133338 > genistin malonate; genistein 7-O-beta-D-glucoside 6''-O-malonate; 6''-Malonylgenistin > 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside > C24H22O13 > 518.42370 > 518.10604 > 0 > O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O > InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1 > FRAUJUKWSKMNJY-RSEYPYQYSA-N > 4896665 > C16192 > LMPK12050173 > 25070365; 25916398 $$$$