131836168 CDK 0407221459 29 31 0 0 0 0 0 0 0 0999 V2000 4.2364 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 3.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 3.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 3.4279 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 16 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 15 1 0 0 0 0 7 15 2 0 0 0 0 8 23 1 0 0 0 0 9 27 1 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 15 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:190882 > 3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid > 2 > 3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid > C20H22O9 > 406.387 > 406.12638 > 0 > O1C(OC2=CC(CCC3=CC(O)=CC=C3)=CC(O)=C2)C(O)C(O)C(O)C1C(O)=O > InChI=1S/C20H22O9/c21-12-3-1-2-10(6-12)4-5-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-3,6-9,15-18,20-25H,4-5H2,(H,26,27) > YRIGVZMZYJLQGA-UHFFFAOYSA-N $$$$