Mol:FL4DADNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2407 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2802 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 2 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 1.5621 1.6478 S SKP 8 ID FL4DADNS0001 KNApSAcK_ID C00008579 NAME Dihydroisorhamnetin CAS_RN 55812-91-4 FORMULA C16H14O7 EXACTMASS 318.073952802 AVERAGEMASS 318.27816 SMILES COc(c(O)3)cc(cc3)[C@@H](O1)[C@@H](O)C(=O)c(c(O)2)c(cc(O)c2)1 M END
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