Mol:FL2F18NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.4210 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 0.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 0.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7395 1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 2.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -0.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 -1.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 6 0 0 0 3 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 2 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 1 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 13 29 1 0 0 0 0 12 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 32 33 2 0 0 0 0 33 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 32 1 0 0 0 0 37 38 1 0 0 0 0 35 39 1 0 0 0 0 S SKP 8 ID FL2F18NC0001 KNApSAcK_ID C00014262 NAME Eriosemaone C;(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone CAS_RN 168010-15-9 FORMULA C31H30O8 EXACTMASS 530.194067936 AVERAGEMASS 530.5651 SMILES O(c51)C(C=Cc(cc(c(c5CC=C(C)C)2)C(=O)CC(c(c3O)c(O)c(c(c4)c(O)cc(O)c4)cc3O)O2)1)(C)C M END