Mol:FL5FAAGS0059
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.0973 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -1.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 0.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -2.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 0.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -1.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 -0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 -0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 -1.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8063 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2163 2.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2163 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 20 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 39 43 1 0 0 0 0 S SKP 8 ID FL5FAAGS0059 KNApSAcK_ID C00005872 NAME Kaempferol 7-(6''-galloylglucoside) CAS_RN 85933-23-9 FORMULA C28H24O15 EXACTMASS 600.111520098 AVERAGEMASS 600.48116 SMILES C(C(O)4)(O)C(C(OC4COC(=O)c(c5)cc(O)c(c(O)5)O)Oc(c1)cc(O)c(C(=O)3)c1OC(=C3O)c(c2)ccc(c2)O)O M END
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