Mol:FL5FAICS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.9841 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 0.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 -1.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 -0.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -2.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -2.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3209 -1.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8669 -1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 -0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 -0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2019 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 -1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3063 -1.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 -2.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 2.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3187 2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 0.0221 0.0000 C 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 5 20 1 0 0 0 0 12 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 6 33 1 0 0 0 0 33 34 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 0 0 0 0 25 15 1 0 0 0 0 S SKP 8 ID FL5FAICS0001 KNApSAcK_ID C00014022 NAME Moghanin A;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 194782-36-0 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES c(c1)(O)c(C(C(O)4)OC(C(C4O)O)CO)c(O)c(C3=O)c(OC(=C3O)c(c2)cc(c(c(OC)2)O)OC)1 M END