Mrv1652309092212432D 50 53 0 0 1 0 999 V2000 2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -13.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -14.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -17.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -22.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -16.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.9000 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 5 6 1 0 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 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 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 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 31 38 1 0 0 0 0 25 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 23 43 1 0 0 0 0 43 44 1 6 0 0 0 5 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 46 49 2 0 0 0 0 3 49 1 0 0 0 0 49 50 1 0 0 0 0 M END > NP0283456 > NP-MRD > COC1=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=CC(OC)=C1O > InChI=1S/C32H38O18/c1-44-18-10-15(11-19(45-2)24(18)38)5-8-22(36)49-30-28(42)25(39)20(12-33)47-32(30)46-13-21-26(40)27(41)29(43)31(48-21)50-23(37)7-4-14-3-6-16(34)17(35)9-14/h3-11,20-21,25-35,38-43H,12-13H2,1-2H3/b7-4+,8-5+/t20-,21-,25-,26-,27+,28+,29-,30-,31+,32-/m1/s1 > FUETYOGYMBALQW-ORCPWHRNSA-N > C32H38O18 > 710.638 > 710.205814384 > 16 > 88 > 69.4431293841607 > 0 > 9 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 0.13836807599999984 > 1 > 4 > 0 > 9.550273277008488 > 8.945365014859496 > -3.648688658097697 > 280.82 > 166.3412 > 14 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate > 0 > NP0283456 > (2r,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate $$$$