Mol:FLIAAAGS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5653 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5653 1.9256 0.0000 O 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
− | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
− | 29 16 1 0 0 0 0 | + | 29 16 1 0 0 0 0 |
− | 11 30 1 0 0 0 0 | + | 11 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAAGS0002 | + | ID FLIAAAGS0002 |
− | KNApSAcK_ID C00010104 | + | KNApSAcK_ID C00010104 |
− | NAME Genistin 6''-O-acetate | + | NAME Genistin 6''-O-acetate |
− | CAS_RN 73566-30-0 | + | CAS_RN 73566-30-0 |
− | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
− | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
− | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
− | SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)O | + | SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)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/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 1.9256 0.0000 O 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 22 1 1 0 0 0 0 29 16 1 0 0 0 0 11 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 S SKP 8 ID FLIAAAGS0002 KNApSAcK_ID C00010104 NAME Genistin 6''-O-acetate CAS_RN 73566-30-0 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)O M END