Mol:FL5FAAGS0048
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1792 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1792 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1792 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1792 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6229 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0666 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0666 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6229 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5103 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0460 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0460 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0460 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0460 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5103 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5103 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7465 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7465 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3135 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8804 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8804 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8804 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8804 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3135 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7465 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7465 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6229 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6741 2.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6741 2.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6741 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6741 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6093 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6093 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3939 -0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3939 -0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0221 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0221 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8228 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8228 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0221 0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0221 0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3939 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3939 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5932 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5932 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3635 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3635 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5553 -1.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5553 -1.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8706 -1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8706 -1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4430 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4430 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0124 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0124 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4135 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4135 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0124 -2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0124 -2.7100 0.0000 C 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 |
− | 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGS0048 | + | ID FL5FAAGS0048 |
− | KNApSAcK_ID C00005861 | + | KNApSAcK_ID C00005861 |
− | NAME Kaempferol 3-(3''-acetylrhamnoside) | + | NAME Kaempferol 3-(3''-acetylrhamnoside) |
− | CAS_RN 135618-16-5 | + | CAS_RN 135618-16-5 |
− | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
− | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
− | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
− | SMILES C(=O)(C=2OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O | + | SMILES C(=O)(C=2OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.1792 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 2.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5553 -1.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 -1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -2.7100 0.0000 C 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL5FAAGS0048 KNApSAcK_ID C00005861 NAME Kaempferol 3-(3''-acetylrhamnoside) CAS_RN 135618-16-5 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=O)(C=2OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O M END