44257216 CDK 0811221958 33 36 0 0 0 0 0 0 0 0999 V2000 5.2223 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -4.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -3.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0999 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -1.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9613 1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4029 4.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -3.5325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2223 -3.9450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5078 -2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -2.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7934 -2.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6742 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3902 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6806 2.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 2.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6837 3.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 3.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3998 3.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 15 2 1 1 0 0 0 2 17 1 0 0 0 0 11 3 1 6 0 0 0 12 4 1 1 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 7 20 1 0 0 0 0 7 27 1 0 0 0 0 8 22 2 0 0 0 0 9 24 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:192919 > Daidzein 6''-O-acetate > 2 > [(3S,4S,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate > C23H22O10 > 458.419 > 458.12130 > 0 > O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(O)C=C4)COC(=O)C > InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3/t18?,20-,21+,22?,23-/m1/s1 > ZMOZJTDOTOZVRT-ZLXZQHNHSA-N > LMPK12050015 $$$$