Mol:FL3FACGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.2314 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 -0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 0.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 -0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -0.1690 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 16 20 1 0 0 0 0 15 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 25 18 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -7.6831 7.0910 S SKP 8 ID FL3FACGS0008 KNApSAcK_ID C00004267 NAME Luteolin 7-galactoside CAS_RN 68321-11-9 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O M END