Mol:FL5FAAGI0006
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | -2.6362 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6362 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0799 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5236 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5236 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5236 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5236 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0799 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9673 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9673 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4110 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4110 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4110 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9673 1.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9673 1.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9673 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9673 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1451 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1451 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7121 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7121 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2791 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2791 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2791 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2791 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7121 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7121 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1451 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1451 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1923 1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1923 1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8459 2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8459 2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0168 -0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0168 -0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0799 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0799 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6360 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6360 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6360 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6360 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0799 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0799 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1921 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1921 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7307 -1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7307 -1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2661 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2661 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0962 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2661 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2661 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7307 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7307 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9005 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9005 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5570 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5570 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8682 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8682 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1369 -2.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1369 -2.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6248 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6248 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2982 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2982 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8336 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8336 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6637 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6637 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8336 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8336 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2982 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2982 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4680 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4680 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1245 -1.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1245 -1.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4357 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4357 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7044 -2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7044 -2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1923 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1923 -2.2177 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 |
− | 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 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
− | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 27 1 1 0 0 0 | + | 32 27 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
− | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
− | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
− | 31 20 1 0 0 0 0 | + | 31 20 1 0 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
− | 42 37 1 1 0 0 0 | + | 42 37 1 1 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 37 44 1 0 0 0 0 | + | 37 44 1 0 0 0 0 |
− | 38 45 1 0 0 0 0 | + | 38 45 1 0 0 0 0 |
− | 39 46 1 0 0 0 0 | + | 39 46 1 0 0 0 0 |
− | 41 33 1 0 0 0 0 | + | 41 33 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGI0006 | + | ID FL5FAAGI0006 |
− | KNApSAcK_ID C00005809 | + | KNApSAcK_ID C00005809 |
− | NAME Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside | + | NAME Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside |
− | CAS_RN 135293-12-8 | + | CAS_RN 135293-12-8 |
− | FORMULA C32H38O14 | + | FORMULA C32H38O14 |
− | EXACTMASS 646.226155924 | + | EXACTMASS 646.226155924 |
− | AVERAGEMASS 646.63572 | + | AVERAGEMASS 646.63572 |
− | SMILES c(c5O)cc(cc5)C(=C(OC(C3OC(C(O)4)OC(C(O)C4O)C)OC(C(O)C3O)C)2)Oc(c(C(=O)2)1)c(CC=C(C)C)c(O)cc1O | + | SMILES c(c5O)cc(cc5)C(=C(OC(C3OC(C(O)4)OC(C(O)C4O)C)OC(C(O)C3O)C)2)Oc(c(C(=O)2)1)c(CC=C(C)C)c(O)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.6362 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 1.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -1.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1369 -2.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 -1.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1923 -2.2177 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 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 27 1 1 0 0 0 32 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 31 20 1 0 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 1 0 0 0 42 37 1 1 0 0 0 42 43 1 0 0 0 0 37 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 41 33 1 0 0 0 0 S SKP 8 ID FL5FAAGI0006 KNApSAcK_ID C00005809 NAME Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside CAS_RN 135293-12-8 FORMULA C32H38O14 EXACTMASS 646.226155924 AVERAGEMASS 646.63572 SMILES c(c5O)cc(cc5)C(=C(OC(C3OC(C(O)4)OC(C(O)C4O)C)OC(C(O)C3O)C)2)Oc(c(C(=O)2)1)c(CC=C(C)C)c(O)cc1O M END