Mrv0541 05061309042D 56 62 0 0 0 0 999 V2000 3.9934 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 3.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 6.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 6.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 3.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3018 5.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 5.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 5.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 4.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 6.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4059 3.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 5.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 3.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 6.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2899 7.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 6.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 7.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 4.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 6.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 3.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 5.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 2.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 3.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 4.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 4.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 18 1 1 0 0 0 0 18 2 2 0 0 0 0 18 3 1 0 0 0 0 19 5 2 0 0 0 0 19 6 1 0 0 0 0 20 4 1 0 0 0 0 20 11 2 0 0 0 0 21 12 2 0 0 0 0 21 13 1 0 0 0 0 22 7 2 0 0 0 0 22 8 1 0 0 0 0 23 9 2 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 24 14 2 0 0 0 0 25 12 1 0 0 0 0 25 15 2 0 0 0 0 26 13 2 0 0 0 0 26 15 1 0 0 0 0 27 14 1 0 0 0 0 28 16 1 0 0 0 0 29 17 1 0 0 0 0 30 20 1 0 0 0 0 30 27 2 0 0 0 0 31 21 1 0 0 0 0 31 30 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 19 1 0 0 0 0 38 31 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 16 1 0 0 0 0 42 17 1 0 0 0 0 43 22 1 0 0 0 0 44 23 1 0 0 0 0 45 24 1 0 0 0 0 46 32 1 0 0 0 0 47 33 1 0 0 0 0 48 34 1 0 0 0 0 49 35 1 0 0 0 0 50 36 1 0 0 0 0 51 37 1 0 0 0 0 52 25 1 0 0 0 0 52 39 1 0 0 0 0 53 26 1 0 0 0 0 53 40 1 0 0 0 0 54 27 1 0 0 0 0 54 38 1 0 0 0 0 55 28 1 0 0 0 0 55 39 1 0 0 0 0 56 29 1 0 0 0 0 56 40 1 0 0 0 0 M END > CHEM030057 > chemdb > OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=C2C(\C=C/C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O > InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1- > RPVPDEHWWUFGBW-RJRFIUFISA-N > C40H42O16 > 778.7519 > 778.247285296 > 16 > 78.32451477827092 > 0 > 11 > 0 > 0 > 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.76 > 1.4243582833333337 > -3.71 > 1 > 7 > 0 > 9.471731824111709 > 8.994582539190858 > -3.648395345701192 > 268.67999999999995 > 194.32830000000007 > 10 > 0 > 1.51e-01 g/l > 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside $$$$