Mrv1533004201502332D 27 29 0 0 0 0 999 V2000 -0.1712 -0.6979 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 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 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 C 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 4.0668 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -3.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -4.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -6.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -5.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -3.5854 0.0000 O 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 1.1387 -1.3654 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 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 7 9 2 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 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > NP0329946 > NP-MRD > CC1C(O)C2=CC(C)=C(CCOC3OC(CO)C(O)C(O)C3O)C=C2C1=O > InChI=1S/C19H26O8/c1-8-5-11-12(15(22)9(2)14(11)21)6-10(8)3-4-26-19-18(25)17(24)16(23)13(7-20)27-19/h5-6,9,13-14,16-21,23-25H,3-4,7H2,1-2H3 > GGINDTCCBDNYFP-UHFFFAOYSA-N > C19H26O8 > 382.409 > 382.162767797 > 8 > 53 > 39.91992118640458 > 1 > 5 > 0 > 0 > 3-hydroxy-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-one > -0.25 > -0.43146414400000127 > -2.06 > 0 > 3 > 0 > 13.122478414435523 > 12.201136472301075 > -2.9810834118809524 > 136.68 > 94.68710000000002 > 5 > 1 > 3.34e+00 g/l > 3-hydroxy-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one > 0 > NP0329946 > 3-hydroxy-2,5-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one $$$$