10621 -OEChem-05062412052D 77 81 0 1 0 0 0 0 0999 V2000 6.8671 -1.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 2.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -0.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 1.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 7.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8384 6.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.3743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.8743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.8743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -6.3743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -5.8743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.3743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -4.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8630 1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 1.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 3.1810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2268 2.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 4.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9666 4.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 4.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9704 5.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2384 5.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1063 6.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 7.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -6.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3976 1.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 -1.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 3.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5023 4.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 4.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 5.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8408 6.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 8.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 7.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 7.1486 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 59 1 0 0 0 0 24 5 1 1 0 0 0 5 28 1 0 0 0 0 18 6 1 1 0 0 0 6 60 1 0 0 0 0 19 7 1 6 0 0 0 7 61 1 0 0 0 0 20 8 1 6 0 0 0 8 62 1 0 0 0 0 22 9 1 6 0 0 0 9 63 1 0 0 0 0 23 10 1 1 0 0 0 10 64 1 0 0 0 0 11 30 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 12 72 1 0 0 0 0 13 36 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 74 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 1 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 6 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 31 35 1 0 0 0 0 31 66 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 1 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 70 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 M END > 10621 > 1 > 940 > 15 > 8 > 7 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aJECAAAAAACRQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAACCAAkIAAIiAEGiMgdNzaGNRqieWOl4BUPuQfI7PzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-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-chroman-4-one > (2S)-5-hydroxy-2-(3-hydroxy-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]-3,4-dihydro-2H-1-benzopyran-4-one > (2S)-5-hydroxy-2-(3-hydroxy-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]oxy-2,3-dihydrochromen-4-one > (2S)-5-hydroxy-2-(3-hydroxy-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]oxy-2,3-dihydrochromen-4-one > (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-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-2,3-dihydrochromen-4-one > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-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-chroman-4-one > InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > QUQPHWDTPGMPEX-QJBIFVCTSA-N > -1.1 > 610.18977037 > C28H34O15 > 610.6 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)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=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O > 234 > 610.18977037 > 0 > 43 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 10 5 16 25 5 21 2 5 26 27 6 28 29 8 28 31 8 29 30 8 30 32 8 31 35 8 32 35 8 33 37 5 37 38 8 37 39 8 38 40 8 39 41 8 17 4 6 40 42 8 41 42 8 24 5 5 18 6 5 19 7 6 20 8 6 22 9 6 $$$$