44566503 -OEChem-09272320552D 96101 0 1 0 0 0 0 0999 V2000 10.3312 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 2.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 5.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -3.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -4.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -4.2857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.7143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -4.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5551 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3472 4.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 4.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4492 4.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -4.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -5.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -5.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8877 4.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 4.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1545 3.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9173 6.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2813 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0413 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 26 1 1 1 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 31 1 0 0 0 0 4 29 1 0 0 0 0 32 4 1 6 0 0 0 22 5 1 1 0 0 0 5 72 1 0 0 0 0 25 6 1 1 0 0 0 6 39 1 0 0 0 0 23 7 1 6 0 0 0 7 73 1 0 0 0 0 8 32 1 0 0 0 0 8 36 1 0 0 0 0 27 9 1 6 0 0 0 9 77 1 0 0 0 0 28 10 1 6 0 0 0 10 78 1 0 0 0 0 30 11 1 1 0 0 0 11 82 1 0 0 0 0 33 12 1 1 0 0 0 12 83 1 0 0 0 0 34 13 1 1 0 0 0 13 84 1 0 0 0 0 35 14 1 6 0 0 0 14 85 1 0 0 0 0 15 40 1 0 0 0 0 15 44 1 0 0 0 0 16 41 2 0 0 0 0 17 45 1 0 0 0 0 17 91 1 0 0 0 0 18 50 1 0 0 0 0 18 92 1 0 0 0 0 19 51 1 0 0 0 0 19 54 1 0 0 0 0 20 53 1 0 0 0 0 20 93 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 29 1 1 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 37 1 6 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 38 1 1 0 0 0 36 71 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 42 44 1 0 0 0 0 42 45 2 0 0 0 0 43 47 2 0 0 0 0 43 48 1 0 0 0 0 44 46 2 0 0 0 0 45 49 1 0 0 0 0 46 50 1 0 0 0 0 46 86 1 0 0 0 0 47 51 1 0 0 0 0 47 87 1 0 0 0 0 48 52 2 0 0 0 0 48 88 1 0 0 0 0 49 50 2 0 0 0 0 49 89 1 0 0 0 0 51 53 2 0 0 0 0 52 53 1 0 0 0 0 52 90 1 0 0 0 0 54 94 1 0 0 0 0 54 95 1 0 0 0 0 54 96 1 0 0 0 0 M END > 44566503 > 1 > 1320 > 20 > 11 > 9 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aJECAAAAAACBQAAAGgAACAAADBSwmAMyDoAABgCIAqBSAAICCAAkIAAIiAFGiMgdNzaGNR6ieWOl4BUPuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one > 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one > 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one > 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one > 2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one > 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone > InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22+,24+,25+,26-,27+,28+,31+,32+,33-,34-/m0/s1 > POMAQDQEVHXLGT-QDYYQVSOSA-N > -2.1 > 770.22694372 > C34H42O20 > 770.7 > CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)OC6C(C(C(C(O6)C)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=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O > 313 > 770.22694372 > 0 > 54 > 15 > 0 > 0 > 0 > 0 > 1 > 69 > 1 5 255 > 21 1 6 26 1 5 28 10 6 30 11 5 33 12 5 34 13 5 35 14 6 15 40 8 15 44 8 24 29 5 31 37 6 36 38 5 39 40 8 39 41 8 32 4 6 41 42 8 42 44 8 42 45 8 43 47 8 43 48 8 44 46 8 45 49 8 46 50 8 47 51 8 48 52 8 49 50 8 22 5 5 51 53 8 52 53 8 25 6 5 23 7 6 27 9 6 $$$$