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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 O 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 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 17 1 1 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 22 32 1 0 0 0 0 20 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 44 43 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 0 0 0 0 47 48 1 1 0 0 0 47 49 1 0 0 0 0 49 50 1 6 0 0 0 50 51 1 0 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 60 63 2 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 65 68 2 0 0 0 0 58 68 1 0 0 0 0 57 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 77 76 1 6 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 6 0 0 0 80 81 1 0 0 0 0 79 82 1 0 0 0 0 82 83 1 1 0 0 0 82 84 1 0 0 0 0 84 85 1 6 0 0 0 84 86 1 0 0 0 0 77 86 1 0 0 0 0 86 87 1 1 0 0 0 70 88 1 0 0 0 0 75 88 1 0 0 0 0 88 89 2 0 0 0 0 56 89 1 0 0 0 0 54 90 1 0 0 0 0 90 91 1 6 0 0 0 90 92 1 0 0 0 0 92 93 1 1 0 0 0 92 94 1 0 0 0 0 52 94 1 0 0 0 0 94 95 1 6 0 0 0 49 96 1 0 0 0 0 96 97 1 0 0 0 0 44 97 1 0 0 0 0 97 98 1 1 0 0 0 42 99 2 0 0 0 0 40100 2 0 0 0 0 37101 1 0 0 0 0 18101 1 0 0 0 0 17102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 13104 1 0 0 0 0 M CHG 1 69 1 M END > NP0084843 > NP-MRD > [H][C@]1(O[C@H](COC(=O)CC(=O)O[C@H]2[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=C([O+]=C5C=C(O)C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(OC)=C(O)C(OC)=C4)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O > InChI=1S/C65H74O38/c1-20-58(102-40(73)15-39(72)91-18-37-47(78)52(83)61(103-65-56(87)50(81)45(76)36(17-67)100-65)60(96-37)42-27(71)14-31-41(48(42)79)26(70)13-28(94-31)21-4-6-23(68)7-5-21)53(84)57(88)62(93-20)92-19-38-46(77)51(82)55(86)64(101-38)98-34-12-25-29(95-59(34)22-8-32(89-2)43(74)33(9-22)90-3)10-24(69)11-30(25)97-63-54(85)49(80)44(75)35(16-66)99-63/h4-14,20,35-38,44-47,49-58,60-67,75-78,80-88H,15-19H2,1-3H3,(H4-,68,69,70,71,74,79)/p+1/t20-,35+,36+,37+,38+,44+,45+,46+,47+,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,60-,61+,62+,63+,64+,65-/m0/s1 > UWWGTLKSECYDAS-BYQJFPOYSA-O > C65H75O38 > 1464.276 > 1463.393084395 > 36 > 178 > 139.83993169466 > 0 > 20 > 1 > 0 > 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-5-[(3-{[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoyl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium > 1.28 > -5.699200000000003 > -3.14 > 1 > 11 > -1 > 6.717637402868732 > 6.019335542025646 > -3.9479201791073786 > 598.1700000000003 > 340.66589999999985 > 23 > 0 > 1.08e+00 g/l > 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6S)-5-[(3-{[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoyl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium > 0 > NP0084843 > Oxalis Anthocyanin-flavone dimer $$$$