Mol:FL3FEAGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 0.0021 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 0.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 1.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 -0.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 -0.5122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4068 -1.1929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6643 -0.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9479 -0.8964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4685 -0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 -0.7185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6363 -0.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 -1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 -1.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 0.4616 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 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 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 -2.3187 0.1656 S SKP 8 ID FL3FEAGS0003 KNApSAcK_ID C00004218 NAME Scutellarein 6-glucoside CAS_RN 10289-41-5 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES [C@@H]([C@@H]1Oc(c(O)2)c(O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)2)(O)[C@@H](O)[C@@H](O)C(O1)CO M END