Mrv1533004261512252D 29 30 0 0 0 0 999 V2000 3.2809 -6.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -5.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -5.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -6.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 -4.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 -3.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 -3.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -4.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 -3.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -3.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 -2.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -2.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 -1.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0869 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 -1.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -1.8084 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 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 5 10 1 0 0 0 0 11 8 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 14 28 1 0 0 0 0 28 29 2 0 0 0 0 M END > NP0263317 > NP-MRD > CC(C)(O)C1CCC(C)(O1)C=CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C > InChI=1S/C21H36O8/c1-6-20(4,29-18-17(25)16(24)15(23)13(12-22)27-18)9-7-10-21(5)11-8-14(28-21)19(2,3)26/h6-7,10,13-18,22-26H,1,8-9,11-12H2,2-5H3 > QRGRNEUSNHIAOU-UHFFFAOYSA-N > C21H36O8 > 416.511 > 416.241018119 > 8 > 65 > 44.358087758911985 > 1 > 5 > 0 > 1 > 2-(hydroxymethyl)-6-({6-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl}oxy)oxane-3,4,5-triol > 0.74 > 0.3640401733333326 > -2.45 > 0 > 2 > 0 > 13.171630566786632 > 12.20631004217036 > -2.981083853479336 > 128.84 > 107.13170000000001 > 8 > 1 > 1.49e+00 g/l > 2-(hydroxymethyl)-6-({6-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl}oxy)oxane-3,4,5-triol > 0 > NP0263317 > 2-(hydroxymethyl)-6-({6-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-yl}oxy)oxane-3,4,5-triol $$$$