Mol:FL4DACNM0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3220 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DACNM0002 | + | ID FL4DACNM0002 |
− | KNApSAcK_ID C00008595 | + | KNApSAcK_ID C00008595 |
− | NAME Deodarin | + | NAME Deodarin |
− | CAS_RN 33788-39-5 | + | CAS_RN 33788-39-5 |
− | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
− | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
− | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
− | SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(C)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(C)c(O)c2 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.7322 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 2 19 1 0 0 0 0 8 20 1 1 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 5 23 1 0 0 0 0 S SKP 8 ID FL4DACNM0002 KNApSAcK_ID C00008595 NAME Deodarin CAS_RN 33788-39-5 FORMULA C16H14O7 EXACTMASS 318.073952802 AVERAGEMASS 318.27816 SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(C)c(O)c2 M END