Mol:FL5FACGS0092
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
− | 1.0224 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0224 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0224 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0224 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7368 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7368 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4513 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4513 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4513 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4513 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7368 2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7368 2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3080 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3080 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4065 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4065 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1210 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1210 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1210 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1210 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4065 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4065 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3080 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3080 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8354 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8354 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5499 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5499 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5499 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5499 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8354 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8354 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4065 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4065 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2643 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2643 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0224 -0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0224 -0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8354 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8354 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0432 2.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0432 2.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0799 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0799 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0975 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0975 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0114 -2.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0114 -2.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6440 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6440 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4582 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4582 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5444 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5444 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9119 -1.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9119 -1.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4369 -2.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 -2.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5424 -2.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5424 -2.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4760 -1.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4760 -1.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8050 -2.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8050 -2.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5455 -1.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5455 -1.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5374 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5374 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2643 -2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2643 -2.3723 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 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGS0092 | + | ID FL5FACGS0092 |
− | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
− | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
− | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
− | SMILES C(C)(C(O)1)OC(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)C(OC(C)=O)C(O)1 | + | SMILES C(C)(C(O)1)OC(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)C(OC(C)=O)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 1.0224 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -1.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 2.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -2.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9119 -1.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -2.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -2.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -1.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -2.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -1.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -2.3723 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 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 32 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 27 19 1 0 0 0 0 S SKP 5 ID FL5FACGS0092 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES C(C)(C(O)1)OC(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)C(OC(C)=O)C(O)1 M END