Mrv1652304282201382D 40 44 0 0 1 0 999 V2000 -0.7145 -0.4125 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 -1.6500 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 -0.4125 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 1.4289 -0.0000 0.0000 O 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 2.1434 -1.2375 0.0000 C 0 0 0 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 -2.4750 0.0000 O 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 2.8579 0.8250 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 4.2868 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 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 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 5.7158 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 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 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 24 27 1 6 0 0 0 23 28 1 1 0 0 0 22 29 1 6 0 0 0 3 30 1 0 0 0 0 1 31 1 0 0 0 0 32 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 35 38 1 1 0 0 0 34 39 1 1 0 0 0 33 40 1 1 0 0 0 M END > NP0052665 > NP-MRD > COC1=CC(=CC=C1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C1=CC(=O)C2=C(O)C=C(O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C=C2O1 > InChI=1S/C26H28O14/c1-35-18-4-10(2-3-16(18)40-26-24(34)22(32)15(30)9-37-26)17-7-13(28)20-12(27)5-11(6-19(20)39-17)38-25-23(33)21(31)14(29)8-36-25/h2-7,14-15,21-27,29-34H,8-9H2,1H3/t14-,15+,21-,22-,23-,24+,25+,26+/m0/s1 > AOCJZGWXBZGZNB-PWJGAUDLSA-N > C26H28O14 > 564.496 > 564.147905582 > 14 > 68 > 55.22589883290465 > 0 > 7 > 0 > 0 > 5-hydroxy-2-(3-methoxy-4-{[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-7-{[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one > 0.04 > -0.7264484346666678 > -2.80 > 1 > 5 > 0 > 11.933903158093875 > 7.314195653394964 > -3.5265985037685867 > 214.05999999999997 > 131.74089999999998 > 6 > 0 > 8.97e-01 g/l > 5-hydroxy-2-(3-methoxy-4-{[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-7-{[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one > 0 > NP0052665 > Luteolin 3'-methyl ether 7,4'-dixyloside $$$$