Mol:FL3FCGGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | 1.4720 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4720 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4720 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4720 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1864 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1864 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9009 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9009 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9009 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9009 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1864 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1864 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7575 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7575 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0430 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0430 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6715 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6715 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6715 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6715 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0430 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0430 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7575 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7575 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3859 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3859 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1004 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1004 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1004 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1004 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3859 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3859 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0430 -2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0430 -2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8149 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8149 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3859 -2.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3859 -2.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4328 0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4328 0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1864 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1864 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5139 -0.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5139 -0.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5139 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5139 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4279 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4279 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2474 -3.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2474 -3.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5558 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5558 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2111 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2111 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3916 -1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3916 -1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0831 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6653 -2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6653 -2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1980 -2.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1980 -2.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1780 -3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1780 -3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7527 -3.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7527 -3.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3396 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3396 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9497 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9497 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1564 2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1564 2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5691 2.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5691 2.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5602 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5602 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3535 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3535 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9408 1.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9408 1.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0165 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0165 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1150 2.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1150 2.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2861 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2861 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7476 3.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7476 3.2878 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 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
− | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
− | 35 44 1 0 0 0 0 | + | 35 44 1 0 0 0 0 |
− | 21 39 1 0 0 0 0 | + | 21 39 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FCGGS0001 | + | ID FL3FCGGS0001 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES c(c4OC(C(O)5)OC(C(O)C5O)CO)c(cc(c4O)OC(O3)C(O)C(C(O)C(C)3)O)C(=C2)Oc(c1)c(C2=O)c(O)cc1OC | + | SMILES c(c4OC(C(O)5)OC(C(O)C5O)CO)c(cc(c4O)OC(O3)C(O)C(C(O)C(C)3)O)C(=C2)Oc(c1)c(C2=O)c(O)cc1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.4720 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 -0.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 -2.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -0.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 -3.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 -1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 -1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -2.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 -3.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 2.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 1.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 2.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 3.2878 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 22 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 36 43 1 0 0 0 0 35 44 1 0 0 0 0 21 39 1 0 0 0 0 S SKP 5 ID FL3FCGGS0001 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES c(c4OC(C(O)5)OC(C(O)C5O)CO)c(cc(c4O)OC(O3)C(O)C(C(O)C(C)3)O)C(=C2)Oc(c1)c(C2=O)c(O)cc1OC M END