131832381 CDK 0216221459 35 38 0 0 0 0 0 0 0 0999 V2000 4.5079 -0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -2.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3888 2.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1363 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3888 0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1363 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9613 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 8 17 2 0 0 0 0 9 29 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:189817 > 6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 2 > 6-[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)chromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > C26H28O9 > 484.501 > 484.17333 > 0 > O1C(OC=2C3=C(OC(C=C3)(C)C)C=CC2CCC(=O)C4=CC=CC=C4)C(O)C(O)C(O)C1C(O)=O > InChI=1S/C26H28O9/c1-26(2)13-12-16-18(35-26)11-9-15(8-10-17(27)14-6-4-3-5-7-14)22(16)33-25-21(30)19(28)20(29)23(34-25)24(31)32/h3-7,9,11-13,19-21,23,25,28-30H,8,10H2,1-2H3,(H,31,32) > WFTAEJQKRFGTOV-UHFFFAOYSA-N $$$$