Mrv1533004241501172D 54 57 0 0 0 0 999 V2000 9.8739 -9.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 -8.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 -8.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 -7.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 -7.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9431 -6.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 -6.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 -6.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -5.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7574 -4.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -3.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6954 -3.0994 0.0000 O 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 1.5914 -3.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -3.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -4.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 -6.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -5.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -4.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 -3.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 -4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 -5.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -4.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 -4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -5.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 -4.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1149 -5.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 -5.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6733 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 -3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0602 -3.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -2.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 -2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -3.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 -1.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -3.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3021 -6.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1091 -6.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6611 -6.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4681 -6.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 -7.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 -7.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 27 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 39 42 2 0 0 0 0 31 42 1 0 0 0 0 14 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 12 47 1 0 0 0 0 47 48 1 0 0 0 0 5 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 50 53 2 0 0 0 0 3 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0263114 > NP-MRD > COC1=CC(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)C(O)C(O)C2O)=CC(OC)=C1O > InChI=1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3 > PMGMZCFZCYRJAG-UHFFFAOYSA-N > C35H44O19 > 768.718 > 768.247679197 > 17 > 98 > 76.48182939610817 > 0 > 7 > 0 > 0 > (3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 1.20 > 0.447024822333333 > -3.38 > 1 > 4 > 0 > 12.114314061494595 > 9.288117258912063 > -2.9814532563443565 > 268.04999999999995 > 182.2064 > 18 > 0 > 3.18e-01 g/l > (3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 0 > NP0263114 > (3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate $$$$