Mol:FL5FAAGL0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -2.5450 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5450 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5450 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5450 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9887 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9887 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4323 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4323 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4323 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4323 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9887 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9887 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8760 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8760 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3197 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3197 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3197 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3197 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8760 1.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8760 1.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8760 -0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8760 -0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2364 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2364 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8033 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8033 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3703 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3703 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3703 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3703 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8033 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8033 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2364 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2364 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9887 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9887 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1010 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1010 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9371 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9371 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0644 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0644 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6768 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6768 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4222 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4222 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5599 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5599 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8144 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8144 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3445 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3445 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1214 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1214 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1010 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1010 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8830 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8830 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7541 -0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7541 -0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0950 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0950 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5282 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5282 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3532 -1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3532 -1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2165 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6958 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6958 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7138 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7138 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2419 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2419 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0463 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0463 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9254 -2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9254 -2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7401 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7401 0.2108 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 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 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
− | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 21 41 1 0 0 0 0 | + | 21 41 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGL0004 | + | ID FL5FAAGL0004 |
− | KNApSAcK_ID C00005162 | + | KNApSAcK_ID C00005162 |
− | NAME Kaempferol 3-vicianoside | + | NAME Kaempferol 3-vicianoside |
− | CAS_RN 110352-79-9 | + | CAS_RN 110352-79-9 |
− | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
− | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
− | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
− | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C(O)3)1)O | + | SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C(O)3)1)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/ 41 45 0 0 0 0 0 0 0 0999 V2000 -2.5450 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8033 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 0.2108 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 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 21 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 31 1 0 0 0 0 27 8 1 0 0 0 0 27 22 1 0 0 0 0 21 41 1 0 0 0 0 S SKP 8 ID FL5FAAGL0004 KNApSAcK_ID C00005162 NAME Kaempferol 3-vicianoside CAS_RN 110352-79-9 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C(O)3)1)O M END