114776 -OEChem-05142401452D 52 55 0 1 0 0 0 0 0999 V2000 5.1350 0.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 -1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 2.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 2.5148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.0148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 2.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 -2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1235 -2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7212 -2.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1336 0.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5334 -0.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6553 -3.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3936 -2.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 12 2 1 1 0 0 0 2 40 1 0 0 0 0 13 3 1 6 0 0 0 3 41 1 0 0 0 0 15 4 1 1 0 0 0 4 42 1 0 0 0 0 5 18 1 0 0 0 0 5 44 1 0 0 0 0 6 19 1 0 0 0 0 6 45 1 0 0 0 0 7 20 1 0 0 0 0 7 46 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 24 2 0 0 0 0 10 30 1 0 0 0 0 10 51 1 0 0 0 0 11 32 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 1 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 6 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 M END > 114776 > 1 > 729 > 11 > 8 > 3 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSgmAIwBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNNzaGNRqCeWGl4BULuQfI7PzOIAADCAAIQABAAAYQABCAAAAAAAAAAA== > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one > 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone > InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 > ODBRNZZJSYPIDI-VJXVFPJBSA-N > -0.2 > 448.10056145 > C21H20O11 > 448.4 > C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O > C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O > 197 > 448.10056145 > 0 > 32 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 35 5 16 18 6 17 19 8 17 20 8 19 21 8 12 2 5 20 22 8 21 23 8 21 24 8 22 23 8 24 26 8 25 26 8 27 28 8 27 29 8 28 30 8 29 31 8 13 3 6 30 32 8 31 32 8 15 4 5 8 23 8 8 25 8 $$$$