Mol:FL7AAHGO0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.5525 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 -0.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3054 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 0.4817 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0196 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 -1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 -3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 3.7433 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 13 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 20 1 0 0 0 0 32 33 1 0 0 0 0 15 32 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 0.0000 -0.8481 S SKP 5 ID FL7AAHGS0002 FORMULA C22H23O11 EXACTMASS 463.124036578 AVERAGEMASS 463.41142 SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c2)c([o+1]c(c3)c(c(O)cc(O)3)2)c(c1)cc(OC)c(O)c(O)1 M END