Mol:FL5FAAGS0006
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -2.4738 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4738 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4738 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4738 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7727 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7727 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0717 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7727 2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7727 2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3706 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3304 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3304 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3305 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3305 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3706 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3706 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3705 -0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3705 -0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0313 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0313 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7458 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7458 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4604 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4604 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4604 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4604 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7457 3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7457 3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0313 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0313 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1746 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1746 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7727 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7727 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1106 0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1106 0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3372 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3372 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7384 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7384 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8194 -0.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8194 -0.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4766 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0753 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0753 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9944 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9944 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3640 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3640 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5075 -1.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5075 -1.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9385 -2.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9385 -2.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1746 3.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1746 3.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3332 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3332 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1055 -3.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1055 -3.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4484 -3.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4484 -3.0711 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 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 3 31 32 33 | + | M SAL 1 3 31 32 33 |
− | M SBL 1 1 36 | + | M SBL 1 1 36 |
− | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
− | M SBV 1 36 0.1434 1.2623 | + | M SBV 1 36 0.1434 1.2623 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGS0006 | + | ID FL5FAAGS0006 |
− | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
− | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
− | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
− | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)O1)O)O | + | SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)O1)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/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.4738 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 -0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -0.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 -1.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -2.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 3.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 -3.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -3.0711 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 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 20 8 1 0 0 0 0 24 23 1 1 0 0 0 15 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 24 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 31 32 33 M SBL 1 1 36 M SMT 1 ^ COOH M SBV 1 36 0.1434 1.2623 S SKP 5 ID FL5FAAGS0006 FORMULA C21H18O12 EXACTMASS 462.07982604 AVERAGEMASS 462.36042 SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)O1)O)O M END