Mrv1533004161523452D 31 33 0 0 0 0 999 V2000 -2.1828 -4.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -3.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -2.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -3.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5418 -4.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 -4.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6142 -3.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 -3.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 -2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -0.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 1.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 2.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 3.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 4.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 4.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 4.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 3.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 3.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -1.8327 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 2 4 1 0 0 0 0 4 5 2 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 4 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 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0329699 > NP-MRD > CC(C)C1=CC=C(C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O > InChI=1S/C21H32O10/c1-10(2)12-5-4-11(3)6-13(12)30-19-17(25)16(24)15(23)14(31-19)7-28-20-18(26)21(27,8-22)9-29-20/h4-6,10,14-20,22-27H,7-9H2,1-3H3 > LPCJLNSWIVWBQB-UHFFFAOYSA-N > C21H32O10 > 444.477 > 444.19954723 > 10 > 63 > 45.781221920997304 > 1 > 6 > 0 > 1 > 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[5-methyl-2-(propan-2-yl)phenoxy]oxane-3,4,5-triol > -0.07 > -0.11645611899999903 > -2.10 > 1 > 3 > 0 > 12.311717114006338 > 11.701736412488073 > -3.1423790163389214 > 158.3 > 106.08550000000001 > 7 > 0 > 3.52e+00 g/l > 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-isopropyl-5-methylphenoxy)oxane-3,4,5-triol > 0 > NP0329699 > 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(2-isopropyl-5-methylphenoxy)oxane-3,4,5-triol $$$$