Mol:FL1C3CGS0022
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 47 50 0 0 0 0 0 0 0 0999 V2000 | + | 47 50 0 0 0 0 0 0 0 0999 V2000 |
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− | -1.9064 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9064 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4652 -1.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4652 -1.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.1423 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1423 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -4.3786 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3786 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2036 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2036 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.6161 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6161 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2036 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2036 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3786 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3786 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.4400 -1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4400 -1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
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− | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
− | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
− | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
− | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
− | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
− | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
− | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
− | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
− | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
− | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
− | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
− | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
− | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 45 40 1 0 0 0 0 | + | 45 40 1 0 0 0 0 |
− | 43 46 1 0 0 0 0 | + | 43 46 1 0 0 0 0 |
− | 42 47 1 0 0 0 0 | + | 42 47 1 0 0 0 0 |
− | 26 36 1 0 0 0 0 | + | 26 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C3CGS0022 | + | ID FL1C3CGS0022 |
− | KNApSAcK_ID C00014510 | + | KNApSAcK_ID C00014510 |
− | NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) | + | NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) |
− | CAS_RN 142628-30-6 | + | CAS_RN 142628-30-6 |
− | FORMULA C32H30O15 | + | FORMULA C32H30O15 |
− | EXACTMASS 654.15847029 | + | EXACTMASS 654.15847029 |
− | AVERAGEMASS 654.5716 | + | AVERAGEMASS 654.5716 |
− | SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O | + | SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 47 50 0 0 0 0 0 0 0 0999 V2000 0.7575 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5504 0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 0.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0505 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 0.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4722 -0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 0.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 1.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 1.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 -1.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7303 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2036 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6161 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2036 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 -1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6156 -0.3924 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 29 23 1 0 0 0 0 13 30 1 0 0 0 0 2 31 1 0 0 0 0 14 32 1 0 0 0 0 20 28 1 0 0 0 0 29 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 42 47 1 0 0 0 0 26 36 1 0 0 0 0 S SKP 8 ID FL1C3CGS0022 KNApSAcK_ID C00014510 NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) CAS_RN 142628-30-6 FORMULA C32H30O15 EXACTMASS 654.15847029 AVERAGEMASS 654.5716 SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O M END