Mrv1652304282201322D 37 40 0 0 1 0 999 V2000 -1.4289 -5.7750 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 -0.7145 -4.5375 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 -2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 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 -4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 O 0 0 0 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 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -5.7750 0.0000 C 0 0 2 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 2.1434 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 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 15 18 1 0 0 0 0 3 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 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 20 25 1 0 0 0 0 24 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 23 34 1 1 0 0 0 22 35 1 6 0 0 0 21 36 1 6 0 0 0 1 37 1 0 0 0 0 M END > NP0052527 > NP-MRD > O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C3C(=O)C=C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)[C@H]1O > InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)14-7-13(27)20-15(35-14)5-12(26)6-16(20)36-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23+,24-/m1/s1 > HAEMQOGVHIZSOW-OPBLACEUSA-N > C24H22O13 > 518.427 > 518.106040768 > 12 > 59 > 49.33799875516942 > 0 > 6 > 0 > 0 > 3-oxo-3-{[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}oxan-2-yl]methoxy}propanoic acid > 1.29 > 0.12197489666666717 > -2.97 > 1 > 4 > -2 > 6.526198896352431 > 3.348041795086107 > -3.649103030046297 > 209.50999999999996 > 120.55389999999994 > 8 > 0 > 5.54e-01 g/l > 3-oxo-3-{[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy}oxan-2-yl]methoxy}propanoic acid > 0 > NP0052527 > Apigenin 5-(6''-malonylglucoside) $$$$