Mol:FL5FECGS0062
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | 2.1179 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1179 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4034 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4034 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4034 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4034 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1179 3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1179 3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8323 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8323 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8323 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8323 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6889 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6889 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0256 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0256 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7400 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7400 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7400 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7400 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0256 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0256 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6889 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6889 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4545 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4545 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1690 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1690 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1690 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1690 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4545 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4545 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0256 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0256 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8834 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8834 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4034 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4034 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4545 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4545 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5468 3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5468 3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1179 3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1179 3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8300 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8300 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5468 1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5468 1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4047 -1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4047 -1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4131 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4131 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7361 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7361 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4010 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4010 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5833 -0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5833 -0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2601 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2601 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3392 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3392 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8519 -2.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8519 -2.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7086 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7086 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0650 -2.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0650 -2.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6132 -1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6132 -1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3046 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3046 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6175 -3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6175 -3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9236 -2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9236 -2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5776 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5776 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2648 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2648 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9586 -2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9586 -2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1662 -2.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1662 -2.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1503 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1503 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1573 -3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1573 -3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9788 -3.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9788 -3.4323 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 |
− | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
− | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
− | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
− | 37 44 1 0 0 0 0 | + | 37 44 1 0 0 0 0 |
− | 36 45 1 0 0 0 0 | + | 36 45 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FECGS0062 | + | ID FL5FECGS0062 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES OC(C5O)C(OC(C)C5O)OC(C1OC(C(=O)3)=C(Oc(c4)c(c(O)c(O)c4OC)3)c(c2)cc(c(c2)O)O)C(O)C(O)C(CO)O1 | + | SMILES OC(C5O)C(OC(C)C5O)OC(C1OC(C(=O)3)=C(Oc(c4)c(c(O)c(O)c4OC)3)c(c2)cc(c(c2)O)O)C(O)C(O)C(CO)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 2.1179 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 1.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 -0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5468 1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3392 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 -2.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 -1.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 -2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1662 -2.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 -3.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 -3.4323 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 18 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 37 44 1 0 0 0 0 36 45 1 0 0 0 0 40 35 1 0 0 0 0 28 19 1 0 0 0 0 S SKP 5 ID FL5FECGS0062 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES OC(C5O)C(OC(C)C5O)OC(C1OC(C(=O)3)=C(Oc(c4)c(c(O)c(O)c4OC)3)c(c2)cc(c(c2)O)O)C(O)C(O)C(CO)O1 M END