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0 0 0 0 0 0 0 0 0 0 0 0 13.9285 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7044 0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0567 1.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 -1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9247 1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8043 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8003 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6606 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5285 -0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1849 3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5324 -1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3926 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4003 -1.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2606 -0.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2644 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2721 -3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8705 -0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3387 -1.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8152 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 -1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0668 -0.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7219 -2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -1.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7462 -3.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 -1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5905 -1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6582 0.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 1.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7864 2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4929 3.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6468 3.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8770 2.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9966 -1.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3902 0.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6707 -2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7963 0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6681 -1.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9642 -3.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8103 -3.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5801 -2.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 57 1 0 0 0 0 4 23 1 0 0 0 0 4 37 1 0 0 0 0 5 26 1 0 0 0 0 5 62 1 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 7 30 1 0 0 0 0 7 69 1 0 0 0 0 8 36 2 0 0 0 0 9 38 1 0 0 0 0 9 72 1 0 0 0 0 10 44 1 0 0 0 0 10 47 1 0 0 0 0 11 42 1 0 0 0 0 11 73 1 0 0 0 0 12 46 1 0 0 0 0 12 74 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 13 48 1 0 0 0 0 14 16 1 6 0 0 0 14 49 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 23 2 0 0 0 0 20 53 1 0 0 0 0 21 26 2 0 0 0 0 21 28 1 0 0 0 0 22 25 2 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 35 1 0 0 0 0 31 60 1 0 0 0 0 32 36 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 39 2 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 40 2 0 0 0 0 35 41 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 43 1 0 0 0 0 39 42 1 0 0 0 0 39 66 1 0 0 0 0 40 44 1 0 0 0 0 40 67 1 0 0 0 0 41 45 2 0 0 0 0 41 68 1 0 0 0 0 42 43 2 0 0 0 0 43 70 1 0 0 0 0 44 46 2 0 0 0 0 45 46 1 0 0 0 0 45 71 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 47 77 1 0 0 0 0 M END > 6438705 > 1 > 1140 > 12 > 6 > 8 > AAADceB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAACRVAAAGgAACAAADBSgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNNzaGNRqCeWOl4BULuQfI7PzOIAADCAAIQABAAAYQABCAAAAAAAAAAA== > 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)vinyl]-5-methoxy-phenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one > 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-benzopyran-4-one > 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one > 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one > 2-[(2S,3S)-2-(hydroxymethyl)-3-[3-methoxy-5-[(Z)-1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-prop-1-en-2-yl]-4-oxidanyl-phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-5,7-bis(oxidanyl)chromen-4-one > 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-vinyl]-5-methoxy-phenyl]-2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl]chromone > InChI=1S/C35H30O12/c1-43-28-8-17(3-5-23(28)39)7-20(15-36)22-9-19(11-31(44-2)34(22)42)35-32(16-37)45-26-6-4-18(10-29(26)47-35)27-14-25(41)33-24(40)12-21(38)13-30(33)46-27/h3-14,32,35-40,42H,15-16H2,1-2H3/b20-7+/t32-,35-/m0/s1 > KMYJDVOGPCWOTR-JMUVRVIPSA-N > 4.5 > 642.17372639 > C35H30O12 > 642.6 > COC1=CC(=CC(=C1O)C(=CC2=CC(=C(C=C2)O)OC)CO)C3C(OC4=C(O3)C=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)CO > COC1=CC(=CC(=C1O)/C(=C/C2=CC(=C(C=C2)O)OC)/CO)[C@H]3[C@@H](OC4=C(O3)C=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)CO > 185 > 642.17372639 > 0 > 47 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 5 14 16 6 15 19 8 15 20 8 17 18 8 17 22 8 18 24 8 19 21 8 20 23 8 21 26 8 22 25 8 23 26 8 24 27 8 25 27 8 29 32 8 32 36 8 33 34 8 33 39 8 34 36 8 34 38 8 35 40 8 35 41 8 38 43 8 39 42 8 40 44 8 41 45 8 42 43 8 44 46 8 45 46 8 6 29 8 6 33 8 $$$$