Mol:FL5FAAGA0028
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 -2.6422 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2526 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2526 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8109 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 -0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 -0.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 -0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 -2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -2.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -1.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 -2.3715 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 2 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 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 2 0 0 0 0 8 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 21 26 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 23 30 1 0 0 0 0 22 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 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 S SKP 8 ID FL5FAAGA0028 KNApSAcK_ID C00005840 NAME Kaempferol 3-(6''-malonylgalactoside) CAS_RN 81202-52-0 FORMULA C24H22O14 EXACTMASS 534.100955412 AVERAGEMASS 534.42308 SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(O)c2 M END
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