Mol:FL5F1AGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.1826 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1826 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7387 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6111 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 0.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 1.1635 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 18 8 1 0 0 0 0 1 19 1 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 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 15 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -6.8596 5.0970 S SKP 8 ID FL5F1AGS0001 KNApSAcK_ID C00005128 NAME Resokaempferol 7-glucoside CAS_RN 16290-10-1 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO M END
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