Mol:FL2F39NS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9447 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5082 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5082 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
− | M SBL 2 1 22 | + | M SBL 2 1 22 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 22 -0.9447 0.9963 | + | M SVB 2 22 -0.9447 0.9963 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
− | M SBL 1 1 20 | + | M SBL 1 1 20 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 20 -2.1362 0.7209 | + | M SVB 1 20 -2.1362 0.7209 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2F39NS0002 | + | ID FL2F39NS0002 |
− | KNApSAcK_ID C00008130 | + | KNApSAcK_ID C00008130 |
− | NAME 7,8-Dimethoxyflavanone | + | NAME 7,8-Dimethoxyflavanone |
− | CAS_RN 73413-67-9 | + | CAS_RN 73413-67-9 |
− | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
− | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
− | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
− | SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1 | + | SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 1.8960 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -0.9447 0.9963 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.1362 0.7209 S SKP 8 ID FL2F39NS0002 KNApSAcK_ID C00008130 NAME 7,8-Dimethoxyflavanone CAS_RN 73413-67-9 FORMULA C17H16O4 EXACTMASS 284.104859 AVERAGEMASS 284.30654 SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1 M END