Mol:FL3FACGS0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 1.3079 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -2.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -0.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 -1.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -0.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 -1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 -1.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 -1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 1.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 2.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 2.0462 0.0000 C 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 39 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 48 M SMT 1 OCH3 M SBV 1 48 -7.1666 4.3989 S SKP 8 ID FL3FACGS0063 KNApSAcK_ID C00004325 NAME Luteolin 7-(6''-ferulylglucoside) CAS_RN 111150-41-5 FORMULA C31H28O14 EXACTMASS 624.147905604 AVERAGEMASS 624.5456200000001 SMILES C(C=4)(=O)c(c(OC4c(c5)cc(O)c(c5)O)1)c(O)cc(OC(O2)C(C(C(C2COC(=O)C=Cc(c3)cc(c(O)c3)OC)O)O)O)c1 M END