Mol:FL3FACGS0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 1.3079 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -2.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -0.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 -1.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 -1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 2.1704 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 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 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 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 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 25 18 1 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL3FACGS0062 KNApSAcK_ID C00004324 NAME Luteolin 7-(6''-p-coumarylglucoside) CAS_RN 111188-76-2 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES C(C=4)(=O)c(c(OC4c(c5)cc(O)c(c5)O)1)c(O)cc(OC(O2)C(C(O)C(C2COC(C=Cc(c3)ccc(O)c3)=O)O)O)c1 M END