5318659 -OEChem-04232402332D 53 55 0 1 0 0 0 0 0999 V2000 5.1350 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 2.5350 0.0000 H 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 3 39 1 0 0 0 0 12 4 1 6 0 0 0 4 40 1 0 0 0 0 13 5 1 6 0 0 0 5 41 1 0 0 0 0 6 16 1 0 0 0 0 6 42 1 0 0 0 0 7 20 1 0 0 0 0 7 46 1 0 0 0 0 8 21 1 0 0 0 0 8 47 1 0 0 0 0 9 22 2 0 0 0 0 10 31 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 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 1 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 M END > 5318659 > 1 > 619 > 10 > 7 > 6 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAAABQAAAGgAACAAADBSwmAMwDoAABgCIAqBSAAACCAAkIAAIiAEGCMgdNzaGNRqieWCl4BUPuYfI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > (E)-1-[2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one > (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > (E)-1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > (E)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one > InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1 > WQCWELFQKXIPCN-JSYAWONVSA-N > 1.4 > 434.12129689 > C21H22O10 > 434.4 > C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O > C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O > 177 > 434.12129689 > 0 > 31 > 5 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 5 17 18 8 17 19 8 18 20 8 19 21 8 15 2 5 20 23 8 21 23 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 11 3 5 30 31 8 12 4 6 13 5 6 $$$$