Mol:FL3FACGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.0186 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6157 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 -0.1330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3862 -0.8136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6437 -0.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9273 -0.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4479 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -0.3393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6157 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 -0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 0.8725 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 SVB 1 34 -2.3026 0.5743 S SKP 8 ID FL3FACGS0007 KNApSAcK_ID C00004266 NAME Luteolin 7-glucoside CAS_RN 5373-11-5 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)cc(c(O)1)O M END