Mol:FL3FAAGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.3452 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 0.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -0.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5808 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 0.7923 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 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 3 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 7 20 2 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 24 18 1 0 0 0 0 23 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 26 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 -7.3235 2.8269 S SKP 8 ID FL3FAAGS0001 KNApSAcK_ID C00001017 NAME Apigenin 7-O-glucoside CAS_RN 578-74-5 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)c1 M END
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