Mol:FL4DAACS0002
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 |
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− | 2.5059 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5059 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.1057 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1057 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.3233 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3233 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8201 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -2.0504 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0504 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6207 1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6207 1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
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− | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | 12 21 1 1 0 0 0 | + | 12 21 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 22 1 0 0 0 0 | + | 27 22 1 0 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 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DAACS0002 | + | ID FL4DAACS0002 |
− | KNApSAcK_ID C00014023 | + | KNApSAcK_ID C00014023 |
− | NAME 8-C-Glucosyldihydrokaempferol | + | NAME 8-C-Glucosyldihydrokaempferol |
− | CAS_RN 364353-6 | + | CAS_RN 364353-6 |
− | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
− | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
− | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
− | SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O | + | SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O |
M END | M END | ||
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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 1.0770 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 -0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -1.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6207 1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6497 2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6207 2.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.0431 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 7 2 1 6 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 1 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 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 12 21 1 1 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 13 25 1 0 0 0 0 S SKP 8 ID FL4DAACS0002 KNApSAcK_ID C00014023 NAME 8-C-Glucosyldihydrokaempferol CAS_RN 364353-6 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O M END