Mol:FL3FECGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.3379 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 0.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -0.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 1.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 -0.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -0.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 -1.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6231 -1.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8806 -1.3961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1641 -1.3884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6847 -0.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -1.2105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9246 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 -1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 -2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 1.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 0.1657 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 19 15 1 0 0 0 0 3 20 1 0 0 0 0 2 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 21 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 CH2OH M SVB 2 36 -2.039 -0.6275 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 -0.6852 1.1273 S SKP 8 ID FL3FECGS0025 KNApSAcK_ID C00004404 NAME 6-Hydroxyluteolin 7-methyl ether 6-galactoside CAS_RN 76449-91-7 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES C(C(=O)4)=C(Oc(c42)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)c(c1)ccc(c1O)O M END