Mrv1533005011512522D 50 51 0 0 0 0 999 V2000 2.8579 -4.9500 0.0000 C 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 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 2.1434 -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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 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 0.7145 -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 -0.7145 -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 0.0000 0.8250 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 2.0625 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 0.4849 3.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 3.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 1.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 -0.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 2.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5269 3.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 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 2.8579 2.4750 0.0000 C 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 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 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 4.2868 4.9500 0.0000 C 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 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 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 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 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 24 26 1 0 0 0 0 21 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 17 29 1 0 0 0 0 29 30 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 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 1 0 0 0 0 38 40 1 0 0 0 0 31 41 1 0 0 0 0 10 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M END > NP0329682 > NP-MRD > CC(C)CCCC(=O)OC1C(CO)OC(OC2(CO)OC(COC(C)=O)C(O)C2O)C(OC(=O)CCCC(C)C)C1OC(=O)CCCC(C)C > InChI=1S/C35H60O15/c1-20(2)11-8-14-26(39)46-30-24(17-36)45-34(50-35(19-37)33(43)29(42)25(49-35)18-44-23(7)38)32(48-28(41)16-10-13-22(5)6)31(30)47-27(40)15-9-12-21(3)4/h20-22,24-25,29-34,36-37,42-43H,8-19H2,1-7H3 > ICZACYCCKVUMDZ-UHFFFAOYSA-N > C35H60O15 > 720.85 > 720.393221232 > 11 > 110 > 76.85708591233562 > 0 > 4 > 0 > 0 > 2-({5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-6-(hydroxymethyl)-4,5-bis[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylhexanoate > 2.76 > 4.199449492666666 > -3.55 > 0 > 2 > 0 > 13.388827320415057 > 12.08619090028547 > -2.9818216781617872 > 213.80999999999997 > 174.3156000000001 > 25 > 0 > 2.03e-01 g/l > 2-({5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-6-(hydroxymethyl)-4,5-bis[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylhexanoate > 0 > NP0329682 > 6-({5-[(acetyloxy)methyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl}oxy)-2-(hydroxymethyl)-4,5-bis[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylhexanoate $$$$