Mrv1652309052223382D 66 73 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 1 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 2.1320 -9.1730 0.0000 O 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 2 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 -2.4185 -5.3408 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 -2.1434 -6.1875 0.0000 O 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 1 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 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 24 32 1 0 0 0 0 23 33 1 0 0 0 0 13 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 37 45 1 0 0 0 0 12 46 2 0 0 0 0 6 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 4 48 1 0 0 0 0 48 49 1 6 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 49 57 1 0 0 0 0 2 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 2 0 0 0 0 58 66 1 0 0 0 0 M END > NP0220346 > 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(O)=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(O)=C(O)C(O)=C1 > InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2/t31-,34+,39+,40+,42+/m0/s1 > OBAZBWUNTJYECH-KXVDAWEYSA-N > C44H34O22 > 914.734 > 914.154172735 > 20 > 100 > 84.87441596274644 > 0 > 16 > 0 > 0 > (2R,3R,4R)-4-[(2R,3S)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 5.677822137666667 > 1 > 8 > 0 > 8.280599475672979 > 7.754570871075414 > -5.548931352822994 > 394.74000000000007 > 221.99920000000003 > 9 > 0 > (2R,3R,4R)-4-[(2R,3S)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > NP0220346 > (2r,3r,4r)-4-[(2r,3s)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate $$$$