Mrv0541 02241212262D 68 74 0 0 0 0 999 V2000 -2.8286 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -0.7955 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.3996 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 0.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 -0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 -3.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -3.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -4.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2668 -4.5889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6793 -3.8745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2668 -3.1600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4418 -3.1600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0293 -2.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 -5.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -3.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 -3.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -3.6831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9720 -4.5081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2575 -4.9206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5431 -4.5081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5431 -3.6831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8286 -4.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 -3.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 -4.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 -5.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4009 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -8.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -8.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -9.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -10.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -9.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -8.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -10.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 -10.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -7.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -7.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 -6.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 -6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -3.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -3.1600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1543 -2.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7418 -1.7310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9168 -1.7310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5043 -2.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6793 -2.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9793 -2.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 -1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9793 -3.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -11.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 7 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 2 17 1 0 0 0 0 4 18 1 0 0 0 0 9 28 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 1 0 0 0 25 24 1 0 0 0 0 24 30 1 6 0 0 0 25 26 1 0 0 0 0 25 31 1 1 0 0 0 26 27 1 0 0 0 0 26 62 1 6 0 0 0 27 28 1 1 0 0 0 37 18 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 6 0 0 0 33 39 1 1 0 0 0 34 40 1 6 0 0 0 35 41 1 1 0 0 0 39 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 43 48 1 0 0 0 0 46 49 1 0 0 0 0 45 50 1 0 0 0 0 43 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 29 54 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 59 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 1 0 0 0 60 63 1 6 0 0 0 57 64 1 1 0 0 0 58 65 1 6 0 0 0 59 66 1 1 0 0 0 64 67 1 0 0 0 0 49 68 1 0 0 0 0 M CHG 1 7 1 M END > CHEM023845 > chemdb > COC1=C(O)C=C(\C=C\C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C3=CC(OC)=C(O)C=C3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)C=C1 > InChI=1S/C44H50O24/c1-59-23-7-3-17(9-22(23)49)4-8-31(50)61-16-30-34(53)37(56)41(68-43-39(58)36(55)33(52)29(15-46)66-43)44(67-30)64-27-13-20-24(62-40(27)18-5-6-21(48)26(10-18)60-2)11-19(47)12-25(20)63-42-38(57)35(54)32(51)28(14-45)65-42/h3-13,28-30,32-39,41-46,51-58H,14-16H2,1-2H3,(H2-,47,48,49)/p+1/b8-4+/t28-,29-,30-,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43+,44-/m1/s1 > UQSLQWFUWYJIMM-AEGWHFIMSA-O > C44H51O24 > 963.8613 > 963.27702756 > 22 > 94.08972032145243 > 0 > 13 > 1 > 0 > 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 1.33 > -1.2003000000000044 > -3.33 > 1 > 7 > 0 > 8.38302613929949 > 6.661194078615713 > -3.678622844118399 > 376.27000000000004 > 233.30930000000006 > 16 > 0 > 4.67e-01 g/l > 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 0 > Peonidin 3-feruloyl-diglucoside 5-glucoside > 144093-82-3 $$$$