Mol:FL5FACGS0015
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3222 0.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3222 0.1493 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 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
− | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGS0015 | + | ID FL5FACGS0015 |
− | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
− | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
− | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
− | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)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/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 0.1493 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 20 15 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 5 ID FL5FACGS0015 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1 M END