Mrv1652304292207072D 64 67 0 0 0 0 999 V2000 2.1434 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -24.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -25.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -26.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -25.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -22.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -22.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 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 1 0 0 0 0 16 18 2 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 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 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 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 37 38 1 0 0 0 0 38 39 2 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 42 51 1 0 0 0 0 51 52 1 0 0 0 0 40 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 36 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 32 59 2 0 0 0 0 23 60 2 0 0 0 0 19 61 1 0 0 0 0 12 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 10 64 1 0 0 0 0 3 64 1 0 0 0 0 M END > NP0084378 > NP-MRD > C\C(CC\C=C(/C)C(=O)OCCC1C(C=C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(O)=O)=C/C(=O)OCCC1C(C=C)C(OC2OC(CO)C(O)C(O)C2O)OC=C1C(O)=O > InChI=1S/C42H58O22/c1-5-21-23(25(36(52)53)17-59-39(21)63-41-34(50)32(48)30(46)27(15-43)61-41)10-12-57-29(45)14-19(3)8-7-9-20(4)38(56)58-13-11-24-22(6-2)40(60-18-26(24)37(54)55)64-42-35(51)33(49)31(47)28(16-44)62-42/h5-6,9,14,17-18,21-24,27-28,30-35,39-44,46-51H,1-2,7-8,10-13,15-16H2,3-4H3,(H,52,53)(H,54,55)/b19-14+,20-9+ > NFTKPZDGVJFCAB-APFDVHGWSA-N > C42H58O22 > 914.904 > 914.341973508 > 20 > 122 > 92.68675314496195 > 0 > 10 > 0 > 0 > 4-(2-{[(2E,6E)-8-[2-(5-carboxy-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)ethoxy]-3,7-dimethyl-8-oxoocta-2,6-dienoyl]oxy}ethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid > 0.26 > -0.24403902766666374 > -3.59 > 1 > 4 > -2 > 4.56529097616931 > 3.956052462667353 > -3.648379728497436 > 344.41999999999996 > 215.66270000000006 > 23 > 0 > 2.38e-01 g/l > 4-(2-{[(2E,6E)-8-[2-(5-carboxy-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)ethoxy]-3,7-dimethyl-8-oxoocta-2,6-dienoyl]oxy}ethyl)-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylic acid > 0 > NP0084378 > Rhodenthoside A $$$$