Mrv1652309022203262D 64 71 0 0 1 0 999 V2000 -0.7145 -1.2375 0.0000 O 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 -0.7145 -2.8875 0.0000 C 0 0 1 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 0.7145 -2.8875 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 1.4289 -1.6500 0.0000 O 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 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -3.6263 0.0000 O 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 1.6839 -4.9096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5044 -4.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -4.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 -3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 -3.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -4.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -4.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 -5.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 -5.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 -6.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 -6.3307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4977 -7.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -7.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -8.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 -8.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -9.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -7.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 -8.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -7.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -5.6633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5278 -5.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 -6.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 -7.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 -6.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -7.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 -7.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 -8.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 -6.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 -6.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -6.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -5.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 -5.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 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 -3.7125 0.0000 C 0 0 2 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 -1.4289 -4.9500 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 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 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 -3.7125 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 -2.1434 -1.2375 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 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 O 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 -4.2868 -0.0000 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 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 3 1 1 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 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 36 44 1 0 0 0 0 12 45 2 0 0 0 0 6 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 4 47 1 0 0 0 0 47 48 1 6 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 48 55 1 0 0 0 0 2 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 2 0 0 0 0 56 64 1 0 0 0 0 M END > NP0146112 > NP-MRD > OC1=CC(O)=C2[C@H]([C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC=C(O)C(O)=C1)C1=C2O[C@@H]([C@H](CC2=C(O)C=C1O)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1 > InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39+,40+,42-/m0/s1 > KTLUHRSHFRODPS-VLNKRCLNSA-N > C44H34O20 > 882.736 > 882.164343495 > 18 > 98 > 82.38127671898737 > 0 > 14 > 0 > 0 > (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.90 > 6.284952780999999 > -3.90 > 1 > 8 > 0 > 8.321955795340456 > 7.7725819856569 > -5.485687933076162 > 354.28000000000003 > 218.03740000000002 > 9 > 0 > 1.10e-01 g/l > (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0146112 > (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$