Mol:FL3FAACC0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 2.5044 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -0.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 -0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 -2.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -2.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2431 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 2.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 2.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1339 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1339 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 -0.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 5 31 1 0 0 0 0 23 13 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 S SKP 8 ID FL3FAACC0002 KNApSAcK_ID C00014015 NAME Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one CAS_RN 613253-63-7 FORMULA C29H28O11 EXACTMASS 552.163161738 AVERAGEMASS 552.52602 SMILES c(c4C(C)c(c5)ccc(O)c5)(O)c(c(O2)c(c4O)C(C=C(c(c3)ccc(c3)O)2)=O)C(C(O)1)OC(CO)C(O)C1O M END