Mrv1533004251505362D 26 28 0 0 0 0 999 V2000 -0.1781 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 4 26 1 0 0 0 0 9 26 1 0 0 0 0 M END > NP0289767 > NP-MRD > CCOC1C=C(CO)C2C1C=COC2OC1OC(CO)C(O)C(O)C1O > InChI=1S/C17H26O9/c1-2-23-10-5-8(6-18)12-9(10)3-4-24-16(12)26-17-15(22)14(21)13(20)11(7-19)25-17/h3-5,9-22H,2,6-7H2,1H3 > VXDHAHZSQCXFQK-UHFFFAOYSA-N > C17H26O9 > 374.386 > 374.157682417 > 9 > 52 > 37.879959675290166 > 1 > 5 > 0 > 0 > 2-{[5-ethoxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -1.24 > -2.1819354439999996 > -1.34 > 1 > 3 > 0 > 13.194189834408913 > 12.20649892845096 > -2.7414929792379086 > 138.07 > 88.67660000000001 > 6 > 1 > 1.70e+01 g/l > 2-{[5-ethoxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0289767 > 2-{[5-ethoxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$