67983144 -OEChem-04202400112D 81 86 0 1 0 0 0 0 0999 V2000 13.5471 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5471 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2791 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2791 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9490 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0351 6.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 6.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4428 7.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 4.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1903 11.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 7.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 7.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 7.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5471 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6810 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4131 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4131 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8150 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2791 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1792 4.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3791 4.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1671 5.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3030 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3911 5.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3069 7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1748 7.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0389 7.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1787 8.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3146 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0466 9.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3185 10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 10.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1864 10.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 4.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 4.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 4.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2622 7.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 6.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 7.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0101 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4131 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9500 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2135 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4165 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0101 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2791 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4121 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7185 4.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8397 4.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5771 7.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9912 6.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7765 9.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5824 9.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7827 10.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5886 10.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 4.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 3.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 6.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 7.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 5.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 8.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 6.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7284 12.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 7.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 7.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 16 2 1 6 0 0 0 2 59 1 0 0 0 0 17 3 1 1 0 0 0 3 60 1 0 0 0 0 20 4 1 1 0 0 0 4 22 1 0 0 0 0 19 5 1 6 0 0 0 5 61 1 0 0 0 0 6 21 1 0 0 0 0 6 62 1 0 0 0 0 7 25 1 0 0 0 0 7 30 1 0 0 0 0 8 27 1 0 0 0 0 8 66 1 0 0 0 0 9 28 2 0 0 0 0 10 39 1 0 0 0 0 10 43 1 0 0 0 0 11 37 1 0 0 0 0 11 78 1 0 0 0 0 12 42 1 0 0 0 0 12 79 1 0 0 0 0 13 40 2 0 0 0 0 14 46 1 0 0 0 0 14 80 1 0 0 0 0 15 51 1 0 0 0 0 15 81 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 18 21 1 1 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 63 1 0 0 0 0 24 27 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 65 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 34 37 2 0 0 0 0 34 69 1 0 0 0 0 35 37 1 0 0 0 0 35 70 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 36 42 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 43 2 0 0 0 0 39 44 2 0 0 0 0 41 47 2 0 0 0 0 41 48 1 0 0 0 0 42 45 1 0 0 0 0 43 71 1 0 0 0 0 44 46 1 0 0 0 0 44 72 1 0 0 0 0 45 46 2 0 0 0 0 45 73 1 0 0 0 0 47 49 1 0 0 0 0 47 74 1 0 0 0 0 48 50 2 0 0 0 0 48 75 1 0 0 0 0 49 51 2 0 0 0 0 49 76 1 0 0 0 0 50 51 1 0 0 0 0 50 77 1 0 0 0 0 M END > 67983144 > 1 > 1090 > 15 > 9 > 5 > AAADceB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAACBVAAAGgAACAAADBSwmAMwDoAABgCIAqBSAAACCAAkIAAIiAEGCMgdNzaGNRqieWCl4BUPuYfI7PzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one;5-hydroxy-3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one > 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one;3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one > 5,7-dihydroxy-3-(4-hydroxyphenyl)chromone;5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C21H20O10.C15H10O5/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9;16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,8,15,18-24,26-28H,7H2;1-7,16-18H/t15-,18-,19+,20-,21-;/m1./s1 > JBPNHWKXMMYZDQ-VPMJRETHSA-N > 702.15847025 > C36H30O15 > 702.6 > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O > 253 > 702.15847025 > 0 > 51 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 39 8 10 43 8 18 21 5 16 2 6 22 23 8 22 24 8 23 25 8 24 27 8 25 26 8 26 27 8 26 28 8 28 29 8 29 30 8 17 3 5 31 32 8 31 33 8 32 34 8 33 35 8 34 37 8 35 37 8 36 39 8 36 40 8 36 42 8 38 40 8 38 43 8 39 44 8 20 4 5 41 47 8 41 48 8 42 45 8 44 46 8 45 46 8 47 49 8 48 50 8 49 51 8 19 5 6 50 51 8 7 25 8 7 30 8 $$$$