Mrv1533007131513222D 68 73 0 0 1 0 999 V2000 0.0000 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 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 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 C 0 0 1 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 1.4289 -6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 2 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 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 2 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 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 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 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 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 0.0000 -6.6000 0.0000 O 0 0 0 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 1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 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 0.7145 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 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 2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 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 2.8579 -9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 15 2 1 0 0 0 0 15 3 1 0 0 0 0 15 10 2 0 0 0 0 16 4 2 0 0 0 0 16 5 1 0 0 0 0 17 6 2 0 0 0 0 17 7 1 0 0 0 0 18 11 2 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 10 1 0 0 0 0 21 19 2 0 0 0 0 22 12 2 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 25 9 1 0 0 0 0 26 20 2 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 31 30 1 0 0 0 0 32 16 1 0 0 0 0 33 24 1 0 0 0 0 33 30 1 0 0 0 0 34 28 1 0 0 0 0 34 32 2 0 0 0 0 35 29 1 0 0 0 0 36 31 1 0 0 0 0 37 35 1 0 0 0 0 38 13 1 0 0 0 0 39 14 1 0 0 0 0 40 17 1 0 0 0 0 41 18 1 0 0 0 0 42 19 1 0 0 0 0 43 20 1 0 0 0 0 44 25 2 0 0 0 0 27 45 1 1 0 0 0 46 28 2 0 0 0 0 29 47 1 6 0 0 0 30 48 1 1 0 0 0 49 31 1 0 0 0 0 50 1 1 0 0 0 0 50 21 1 0 0 0 0 51 22 1 0 0 0 0 51 32 1 0 0 0 0 52 23 1 0 0 0 0 52 37 1 0 0 0 0 53 24 1 0 0 0 0 53 36 1 0 0 0 0 54 25 1 0 0 0 0 54 35 1 0 0 0 0 33 55 1 1 0 0 0 37 55 1 1 0 0 0 56 34 1 0 0 0 0 36 56 1 1 0 0 0 57 3 1 0 0 0 0 58 9 1 0 0 0 0 59 23 1 0 0 0 0 60 24 1 0 0 0 0 27 61 1 6 0 0 0 29 62 1 6 0 0 0 30 63 1 6 0 0 0 64 31 1 0 0 0 0 33 65 1 1 0 0 0 66 35 1 0 0 0 0 36 67 1 6 0 0 0 37 68 1 6 0 0 0 M END > CHEM023923 > chemdb > [H]C(=C([H])C1=CC(OC)=C(O)C=C1)C(=O)OC1([H])[C@]([H])(O[C@]2([H])C([H])(CO)O[C@@]([H])(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C([H])(O)[C@@]2([H])O)OC([H])(CO)[C@]([H])(O)[C@]1([H])O > InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)42)3-9-25(44)54-35-29(47)27(45)23(13-38)52-37(35)55-33-24(14-39)53-36(31(49)30(33)48)56-34-28(46)26-20(43)11-18(41)12-22(26)51-32(34)16-4-6-17(40)7-5-16/h2-12,23-24,27,29-31,33,35-43,45,47-49H,13-14H2,1H3/b9-3+/t23?,24?,27-,29-,30+,31?,33+,35?,36-,37-/m0/s1 > YVMXOWMAJXNETB-KUQSDVROSA-N > C37H38O19 > 786.692 > 786.200729004 > 18 > 94 > 76.79330956053504 > 0 > 10 > 0 > 0 > (2S,4S,5R)-2-{[(3S,4R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 1.52 > 0.9605485106666675 > -3.10 > 1 > 6 > -1 > 7.865498533775673 > 6.372209519964098 > -3.6491073410268156 > 301.05 > 187.71970000000007 > 12 > 0 > 6.28e-01 g/l > (2S,4S,5R)-2-{[(3S,4R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside) > 352284-18-5 $$$$