Mol:FL2FALNI0012
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | -0.0287 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0287 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4922 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4922 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0131 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0131 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0131 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0131 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4922 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4922 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0287 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0287 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5339 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5339 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0548 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0548 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0548 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0548 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5339 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5339 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5752 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5752 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5339 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5339 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1096 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1096 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6439 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6439 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6439 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6439 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1096 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1096 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5752 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5752 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4922 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4922 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1774 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1774 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5491 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0417 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0417 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1096 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1096 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5491 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5491 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0694 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0694 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5886 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5886 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1078 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1078 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5886 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5886 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6258 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6258 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1438 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1438 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6606 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6606 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1774 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1774 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6606 -1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6606 -1.3580 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 0 0 0 0 | + | 9 11 1 0 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 |
− | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
− | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FALNI0012 | + | ID FL2FALNI0012 |
− | KNApSAcK_ID C00008498 | + | KNApSAcK_ID C00008498 |
− | NAME Sophoraflavanone D | + | NAME Sophoraflavanone D |
− | CAS_RN 121927-93-3 | + | CAS_RN 121927-93-3 |
− | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
− | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
− | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
− | SMILES c(c1O)c(c(C(O3)CC(=O)c(c32)c(c(c(O)c2)CC=C(C)CCC=C(C)C)O)c(c1)O)O | + | SMILES c(c1O)c(c(C(O3)CC(=O)c(c32)c(c(c(O)c2)CC=C(C)CCC=C(C)C)O)c(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0287 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1774 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -1.3580 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 0 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 2 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 17 21 1 0 0 0 0 13 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FL2FALNI0012 KNApSAcK_ID C00008498 NAME Sophoraflavanone D CAS_RN 121927-93-3 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES c(c1O)c(c(C(O3)CC(=O)c(c32)c(c(c(O)c2)CC=C(C)CCC=C(C)C)O)c(c1)O)O M END