Mol:FL3FFCGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.0244 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 0.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 -0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -0.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 0.6074 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 15 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 20 1 0 0 0 0 6 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 ^CH2OH M SBV 1 35 -7.3877 3.6733 S SKP 8 ID FL3FFCGS0002 KNApSAcK_ID C00004418 NAME 8-Hydroxyluteolin 7-glucoside CAS_RN 32455-43-9 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)(O)C(O)C(O)C(O1)CO M END