Mrv1652304282207122D 61 67 0 0 1 0 999 V2000 -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 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 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 O 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 O 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 0.0000 0.8250 0.0000 O 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 -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 1 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 1 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 1 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 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 4.9500 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 2.1434 3.7125 0.0000 C 0 0 1 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 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 6.1875 0.0000 C 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 4.2868 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 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 -3.5724 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 O 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 -5.7158 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 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 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 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 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 14 2 0 0 0 0 14 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 6 0 0 0 22 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 28 30 1 6 0 0 0 27 31 1 1 0 0 0 26 32 1 6 0 0 0 33 32 1 6 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 37 38 1 0 0 0 0 33 38 1 0 0 0 0 36 39 1 6 0 0 0 35 40 1 6 0 0 0 34 41 1 6 0 0 0 25 42 1 1 0 0 0 19 43 1 1 0 0 0 18 44 1 1 0 0 0 17 45 1 6 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 50 52 1 6 0 0 0 49 53 1 1 0 0 0 48 54 1 6 0 0 0 47 55 1 1 0 0 0 11 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 10 59 2 0 0 0 0 58 60 1 0 0 0 0 56 61 1 0 0 0 0 M END > NP0060105 > NP-MRD > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@H]3O)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C38H48O23/c1-11-21(43)26(48)29(51)37(56-11)61-34-27(49)24(46)19(10-54-36-30(52)32(22(44)12(2)55-36)59-35-28(50)23(45)17(42)9-53-35)58-38(34)60-33-25(47)20-16(41)7-15(40)8-18(20)57-31(33)13-3-5-14(39)6-4-13/h3-8,11-12,17,19,21-24,26-30,32,34-46,48-52H,9-10H2,1-2H3/t11-,12-,17+,19-,21-,22-,23+,24-,26+,27-,28+,29-,30-,32+,34+,35+,36+,37-,38-/m0/s1 > BMLXJHRQBRRIJE-NCDRHZIXSA-N > C38H48O23 > 872.779 > 872.258637806 > 23 > 109 > 81.88286686176811 > 0 > 13 > 0 > 0 > 3-{[(2S,3R,4S,5R,6S)-6-({[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one > -0.36 > -2.429622035999997 > -1.77 > 1 > 7 > -1 > 7.869676534942059 > 6.372346446904635 > -3.6765067042170996 > 363.13000000000005 > 195.48460000000006 > 10 > 0 > 1.49e+01 g/l > 3-{[(2S,3R,4S,5R,6S)-6-({[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one > 0 > NP0060105 > 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one $$$$