Mol:FL3FACGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 -0.3452 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 -0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7473 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9031 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 0.9237 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 7 19 2 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 23 18 1 0 0 0 0 22 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 14 31 1 0 0 0 0 13 32 1 0 0 0 0 30 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 2 0 0 0 0 36 38 1 0 0 0 0 S SKP 8 ID FL3FACGS0001 KNApSAcK_ID C00001067 NAME Luteolin 7-O-(6''-malonylglucoside) CAS_RN 98767-38-5 FORMULA C24H22O14 EXACTMASS 534.100955412 AVERAGEMASS 534.42308 SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)O)O)=CC1=O M END
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