Mrv2104 02172211572D 27 29 0 0 0 0 999 V2000 -3.9295 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8562 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 12 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 15 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 1 0 0 0 0 17 24 1 0 0 0 0 16 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > PHUB002308 > phytohub > CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=C1C=CC(OC)=C2 > InChI=1/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3 > UOASSFRPBORTCT-UHFFFAOYNA-N > C16H21NO10 > 387.341 > 387.11654588 > 10 > 48 > -7.148282710154502e-06 > 36.73271461259398 > 1 > 4 > 0 > 0 > 4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one > -0.53 > -1.4474636596666661 > -1.33 > 0 > 0 > 3 > 0 > 13.19847688410422 > 12.206385274237205 > -2.981084922435305 > 147.38 > 85.36610000000002 > 5 > 1 > 1.82e+01 g/l > 4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one > 0 $$$$