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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 -7.1447 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 17 1 2 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 18 7 2 0 0 0 0 19 4 2 0 0 0 0 19 5 1 0 0 0 0 20 8 2 0 0 0 0 20 9 1 0 0 0 0 21 10 2 0 0 0 0 21 11 1 0 0 0 0 22 12 2 0 0 0 0 23 6 1 0 0 0 0 24 8 1 0 0 0 0 24 22 1 0 0 0 0 25 7 1 0 0 0 0 25 23 2 0 0 0 0 26 10 1 0 0 0 0 27 9 2 0 0 0 0 27 22 1 0 0 0 0 28 11 2 0 0 0 0 29 12 1 0 0 0 0 30 14 1 0 0 0 0 31 15 1 0 0 0 0 32 16 1 0 0 0 0 33 13 1 0 0 0 0 34 13 1 0 0 0 0 35 26 2 0 0 0 0 35 28 1 0 0 0 0 36 30 1 0 0 0 0 37 31 1 0 0 0 0 38 32 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 38 1 0 0 0 0 42 37 1 0 0 0 0 44 43 1 0 0 0 0 45 41 1 0 0 0 0 46 40 1 0 0 0 0 47 18 1 0 0 0 0 47 29 2 0 0 0 0 48 17 1 0 0 0 0 49 39 2 0 0 0 0 49 48 1 0 0 0 0 50 43 1 0 0 0 0 51 44 1 0 0 0 0 52 42 1 0 0 0 0 53 50 1 0 0 0 0 54 45 1 0 0 0 0 55 46 1 0 0 0 0 56 51 1 0 0 0 0 57 52 1 0 0 0 0 58 14 1 0 0 0 0 59 15 1 0 0 0 0 60 19 1 0 0 0 0 61 20 1 0 0 0 0 62 23 1 0 0 0 0 63 24 2 0 0 0 0 64 25 1 0 0 0 0 65 26 1 0 0 0 0 66 33 2 0 0 0 0 67 34 2 0 0 0 0 68 36 1 0 0 0 0 69 37 1 0 0 0 0 70 38 1 0 0 0 0 71 39 1 0 0 0 0 72 40 1 0 0 0 0 73 41 1 0 0 0 0 74 42 1 0 0 0 0 75 43 1 0 0 0 0 76 44 1 0 0 0 0 77 45 1 0 0 0 0 78 46 1 0 0 0 0 79 53 2 0 0 0 0 80 53 1 0 0 0 0 81 16 1 0 0 0 0 81 33 1 0 0 0 0 82 21 1 0 0 0 0 82 56 1 0 0 0 0 83 27 1 0 0 0 0 83 47 1 0 0 0 0 84 28 1 0 0 0 0 84 48 2 0 0 0 0 85 29 1 0 0 0 0 85 54 1 0 0 0 0 86 30 1 0 0 0 0 86 55 1 0 0 0 0 87 31 1 0 0 0 0 87 57 1 0 0 0 0 88 32 1 0 0 0 0 88 54 1 0 0 0 0 89 34 1 0 0 0 0 89 51 1 0 0 0 0 90 49 1 0 0 0 0 90 57 1 0 0 0 0 91 50 1 0 0 0 0 91 56 1 0 0 0 0 92 52 1 0 0 0 0 92 55 1 0 0 0 0 M CHG 1 84 1 M END > CHEM029134 > chemdb > OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(O)C3=C(O)C=C(OC4OC(C(O)C(O)C4OC(=O)CC(=O)OCC4OC(OC5=C(OC6=CC(O)=CC(=O)C6=C5)C5=CC(O)=C(O)C=C5)C(O)C(O)C4O)C(O)=O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O > InChI=1S/C57H58O35/c58-14-30-36(68)40(72)46(78)55(86-30)92-52-42(74)37(69)31(15-59)87-57(52)90-49-39(71)35-26(65)10-21(11-28(35)84-48(49)17-1-4-19(60)5-2-17)82-56-51(44(76)43(75)50(91-56)53(79)80)89-34(67)13-33(66)81-16-32-38(70)41(73)45(77)54(88-32)85-29-12-22-24(63)8-20(61)9-27(22)83-47(29)18-3-6-23(62)25(64)7-18/h1-12,30-32,36-38,40-46,50-52,54-59,68-70,72-78H,13-16H2,(H6-,60,61,62,63,64,65,71,79,80)/p+1 > YNAGDGFNQJEKFF-UHFFFAOYSA-O > C57H59O35 > 1304.0574 > 1303.283688658 > 32 > 123.10746597126234 > 0 > 19 > 1 > 0 > 7-{[6-carboxy-3-({3-[(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium > 1.02 > -5.461755504157875 > -3.24 > 1 > 10 > -2 > 3.385444086846637 > 2.38398066667378 > 8.194744734993078 > 567.3200000000003 > 304.0424999999998 > 20 > 0 > 7.79e-01 g/l > 7-{[6-carboxy-3-({3-[(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium > 0 > Allium schoenoprasum Anthocyanin-flavonol $$$$