44257230 CDK 0615221717 32 36 0 0 0 0 0 0 0 0999 V2000 4.2363 -2.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -2.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -4.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -3.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1139 0.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7368 4.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5895 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 1.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -3.8469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -3.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -3.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.6095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4078 -0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 -0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4043 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4074 2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6946 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 4.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6977 3.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4055 4.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 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 1 0 0 0 12 4 1 6 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 7 20 1 0 0 0 0 7 26 1 0 0 0 0 8 28 1 0 0 0 0 8 32 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 23 2 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 15 1 0 0 0 0 14 16 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 22 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:192452 > Pseudobaptigenin 7-O-glucoside > 2 > 3-(1,3-benzodioxol-5-yl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > C22H20O10 > 444.392 > 444.10565 > 0 > O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=5OCOC5C=C4)CO > InChI=1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2/t17?,19-,20+,21?,22-/m1/s1 > GWACEFYEIOPAJV-BLQBXXAQSA-N > LMPK12050043 $$$$