Mrv0541 05061309382D 25 26 0 0 0 0 999 V2000 0.3020 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -5.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 -6.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 -6.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -2.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -5.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -4.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -6.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3482 -7.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -5.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 2 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 12 2 0 0 0 0 21 13 2 0 0 0 0 22 14 2 0 0 0 0 23 1 1 0 0 0 0 23 14 1 0 0 0 0 24 10 1 0 0 0 0 24 13 1 0 0 0 0 25 11 1 0 0 0 0 25 12 1 0 0 0 0 M END > NP0202771 > NP-MRD > COC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C1OC(=O)C(O)C1O > InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3 > RQUDYYZIFCIQQF-UHFFFAOYSA-N > C14H14O11 > 358.2544 > 358.05361129 > 8 > 31.553062367123857 > 1 > 5 > 0 > 0 > methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate > 0.37 > -0.694500708333333 > -1.60 > 0 > 2 > 0 > 11.125438148896913 > 8.09709947107625 > -3.7464801383471267 > 180.04999999999995 > 75.17999999999999 > 6 > 1 > 8.93e+00 g/l > methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate > 0 > NP0202771 > methyl 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetate $$$$