Mrv1533004261502052D 39 42 0 0 0 0 999 V2000 2.5645 3.3000 0.0000 C 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 3.2789 2.0625 0.0000 C 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 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 3.9934 0.0000 0.0000 O 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 3.2789 -1.2375 0.0000 O 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 4.7079 -1.2375 0.0000 O 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 6.1368 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -1.6500 0.0000 O 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 6.1368 -2.8875 0.0000 O 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 4.7079 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -2.8875 0.0000 O 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 1.7798 -0.2549 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 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 1.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -1.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 -2.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -2.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -4.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 -3.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -4.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 -2.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.7964 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 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 9 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 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 5 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > NP0290047 > NP-MRD > COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC3(CO)OC(CO)C(O)C3O)=CCC12O > InChI=1S/C23H34O16/c1-34-19(32)10-7-35-20(38-21-17(30)16(29)14(27)11(4-24)37-21)13-9(2-3-22(10,13)33)6-36-23(8-26)18(31)15(28)12(5-25)39-23/h2,7,11-18,20-21,24-31,33H,3-6,8H2,1H3 > CHCDBRSQCZASOU-UHFFFAOYSA-N > C23H34O16 > 566.509 > 566.184685015 > 15 > 73 > 53.691735308119746 > 0 > 9 > 0 > 0 > methyl 7-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4a-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate > -2.34 > -4.7092476649999995 > -1.21 > 1 > 4 > 0 > 12.361935273769166 > 11.82962696968766 > -2.981432736977502 > 254.51999999999995 > 122.5246 > 10 > 0 > 3.47e+01 g/l > methyl 7-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4a-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,7aH-cyclopenta[c]pyran-4-carboxylate > 0 > NP0290047 > methyl 7-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4a-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,7ah-cyclopenta[c]pyran-4-carboxylate $$$$