168849 -OEChem-05102412292D 78 82 0 1 0 0 0 0 0999 V2000 6.8671 -1.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1345 7.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -6.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -5.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.3813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -4.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 3.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 4.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2588 4.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 4.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2627 5.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 5.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 6.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 7.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -3.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -6.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 2.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -2.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 4.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5266 4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 6.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 5.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 8.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 8.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 7.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 21 2 1 1 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 17 4 1 6 0 0 0 4 60 1 0 0 0 0 18 5 1 1 0 0 0 5 61 1 0 0 0 0 24 6 1 1 0 0 0 6 28 1 0 0 0 0 19 7 1 6 0 0 0 7 62 1 0 0 0 0 20 8 1 6 0 0 0 8 63 1 0 0 0 0 22 9 1 6 0 0 0 9 64 1 0 0 0 0 23 10 1 1 0 0 0 10 65 1 0 0 0 0 11 29 1 0 0 0 0 11 37 1 0 0 0 0 12 31 1 0 0 0 0 12 35 1 0 0 0 0 13 32 1 0 0 0 0 13 68 1 0 0 0 0 14 34 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 1 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 24 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 6 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 67 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 72 1 0 0 0 0 40 42 2 0 0 0 0 40 73 1 0 0 0 0 41 43 2 0 0 0 0 41 74 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 M END > 168849 > 1 > 1000 > 15 > 7 > 8 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIECAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAACCAAkIAAIiAEGiMgdNzaGNRqieWOl4BUPuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA== > 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one > 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one > 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one > 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one > 6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one > 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone > InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1 > DUXQKCCELUKXOE-CBBZIXHGSA-N > -0.5 > 622.18977037 > C29H34O15 > 622.6 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O > 223 > 622.18977037 > 0 > 44 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 10 5 12 31 8 12 35 8 16 25 5 21 2 5 26 27 6 28 29 8 28 30 8 29 32 8 30 31 8 31 33 8 32 33 8 33 34 8 34 36 8 35 36 8 38 39 8 38 40 8 39 41 8 17 4 6 40 42 8 41 43 8 42 43 8 18 5 5 24 6 5 19 7 6 20 8 6 22 9 6 $$$$