Mol:FL3FECGS0033
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -3.1630 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4481 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4481 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3936 -0.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1263 -0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 -1.3103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3212 -0.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5884 -0.7296 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3957 0.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -0.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 -1.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 -0.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 0.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -2.3299 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 2 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 23 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 35 36 M SBL 4 1 38 M SMT 4 CH2OH M SVB 4 38 3.7412 0.5528 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 33 34 M SBL 3 1 36 M SMT 3 OCH3 M SVB 3 36 -0.1867 1.4049 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 -3.504 0.4729 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -3.7412 -1.2723 S SKP 8 ID FL3FECGS0033 KNApSAcK_ID C00004416 NAME 6-Hydroxyluteolin 6,7,3'-trimethyl ether 4'-glucoside CAS_RN 41087-97-2 FORMULA C24H26O12 EXACTMASS 506.142426296 AVERAGEMASS 506.45604 SMILES c(c3OC)c(ccc(O[C@@H](C4O)O[C@@H]([C@@H](C(O)4)O)CO)3)C(O2)=CC(=O)c(c21)c(c(c(OC)c1)OC)O M END