Mol:FL4D1AGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -3.3703 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3703 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6559 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6559 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9415 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9415 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6559 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6559 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3703 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3703 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2271 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2271 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5128 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5128 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5128 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5128 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2271 0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2271 0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2271 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2271 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2823 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2823 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0073 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0073 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7324 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7324 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7324 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7324 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0073 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0073 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2823 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2823 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1015 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1015 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3235 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3235 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3514 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3514 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9389 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9389 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7321 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7321 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5303 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5303 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9429 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9429 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1496 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1496 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6085 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6085 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6839 -0.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6839 -0.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6015 -0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6015 -0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4575 1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4575 1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1216 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1216 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1015 -1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1015 -1.8216 0.0000 O 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
− | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 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 2 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 34 -0.5914 -0.0737 | + | M SBV 1 34 -0.5914 -0.0737 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL4D1AGS0001 | + | ID FL4D1AGS0001 |
− | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
− | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
− | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
− | SMILES C(C1OC(C2=O)C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1OC(C2=O)C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3703 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1015 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9389 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -0.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 -0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1216 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -1.8216 0.0000 O 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 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 15 29 1 0 0 0 0 30 31 1 0 0 0 0 23 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -0.5914 -0.0737 S SKP 5 ID FL4D1AGS0001 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(C1OC(C2=O)C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO M END