Mrv0541 05061309312D 25 27 0 0 0 0 999 V2000 1.5249 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 6 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 4 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 14 2 0 0 0 0 22 14 1 0 0 0 0 23 5 1 0 0 0 0 23 15 1 0 0 0 0 24 9 1 0 0 0 0 24 16 1 0 0 0 0 25 15 1 0 0 0 0 25 16 1 0 0 0 0 M END > NP0137464 > NP-MRD > CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O > InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22) > DSXFHNSGLYXPNG-UHFFFAOYSA-N > C16H24O9 > 360.3564 > 360.142032366 > 9 > 35.59972753542546 > 1 > 5 > 0 > 0 > 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid > -1.09 > -0.9076080566666671 > -1.25 > 0 > 3 > -1 > 12.207031738473338 > 4.334425979290826 > -2.9810847601512 > 145.91 > 81.11280000000001 > 4 > 1 > 2.03e+01 g/l > 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid > 0 > NP0137464 > 8-Epideoxyloganic acid $$$$