Mrv1533004241508252D 29 30 0 0 0 0 999 V2000 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -5.3625 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 17 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 22 24 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 2 0 0 0 0 10 29 1 0 0 0 0 M END > NP0327952 > NP-MRD > CCCCOC(=O)CCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 > InChI=1S/C20H30O9/c1-3-4-9-27-16(22)8-6-12-5-7-13(14(10-12)26-2)28-20-19(25)18(24)17(23)15(11-21)29-20/h5,7,10,15,17-21,23-25H,3-4,6,8-9,11H2,1-2H3 > XTIIKSGREOOAOR-UHFFFAOYSA-N > C20H30O9 > 414.451 > 414.188982546 > 8 > 59 > 43.305715256266105 > 1 > 4 > 0 > 1 > butyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate > 1.22 > 0.7960511603333345 > -2.51 > 0 > 2 > 0 > 13.196043729445435 > 12.200014899763252 > -2.981092354907191 > 134.91000000000003 > 101.19780000000004 > 11 > 1 > 1.27e+00 g/l > butyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate > 0 > NP0327952 > butyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate $$$$