5282102 -OEChem-03282405142D 52 55 0 1 0 0 0 0 0999 V2000 5.1350 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 4.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8831 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 16 2 1 1 0 0 0 2 18 1 0 0 0 0 12 3 1 1 0 0 0 3 40 1 0 0 0 0 13 4 1 6 0 0 0 4 41 1 0 0 0 0 14 5 1 6 0 0 0 5 42 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 20 2 0 0 0 0 9 24 1 0 0 0 0 9 50 1 0 0 0 0 10 29 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 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 1 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 44 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 31 2 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 M END > 5282102 > 1 > 719 > 11 > 7 > 4 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIEAAAAAAACBQAAAGgAACAAADBSwmAMwDoAABgCIAqBSAAICCAAkIAAIiAFGCMgdNzaGNR6ieWCl4BUPuQfI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 > JPUKWEQWGBDDQB-QSOFNFLRSA-N > 0.7 > 448.10056145 > C21H20O11 > 448.4 > C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O > C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O > 186 > 448.10056145 > 0 > 32 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 17 5 18 19 8 18 20 8 16 2 5 20 21 8 21 22 8 21 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 29 8 12 3 5 30 32 8 31 32 8 13 4 6 14 5 6 7 19 8 7 22 8 $$$$