Mol:FLIA1CCS0002
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 |
− | -2.3284 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3284 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3284 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3284 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7721 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7721 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2158 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2158 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2158 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2158 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7721 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7721 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6595 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6595 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1032 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1032 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1032 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1032 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6595 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6595 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6595 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6595 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8845 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8845 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4235 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4235 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0291 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0291 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7722 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7722 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7653 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7653 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3020 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3020 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6070 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6070 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5902 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5902 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0639 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0639 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4076 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4076 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4117 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4117 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9979 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9979 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5841 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5841 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5841 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5841 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9979 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9979 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4117 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4117 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1700 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1700 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1014 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1014 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3869 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3869 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1700 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1700 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8845 -1.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8845 -1.7064 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 18 29 1 0 0 0 0 | + | 18 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
− | M SBL 1 1 32 | + | M SBL 1 1 32 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 32 -7.4698 5.9737 | + | M SBV 1 32 -7.4698 5.9737 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
− | M SBL 2 1 34 | + | M SBL 2 1 34 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 34 -7.3896 6.0200 | + | M SBV 2 34 -7.3896 6.0200 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1CCS0002 | + | ID FLIA1CCS0002 |
− | KNApSAcK_ID C00006367 | + | KNApSAcK_ID C00006367 |
− | NAME Pueraria glycoside 3 | + | NAME Pueraria glycoside 3 |
− | CAS_RN 117047-07-1 | + | CAS_RN 117047-07-1 |
− | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
− | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
− | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
− | SMILES O(C4CO)C(C(O)C(C4O)O)c(c21)c(ccc(C(=O)C(c(c3)cc(c(c3)O)OC)=CO2)1)O | + | SMILES O(C4CO)C(C(O)C(C4O)O)c(c21)c(ccc(C(=O)C(c(c3)cc(c(c3)O)OC)=CO2)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/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.3284 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7721 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8845 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5902 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -1.7064 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 27 8 1 0 0 0 0 24 28 1 0 0 0 0 18 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 CH2OH M SBV 1 32 -7.4698 5.9737 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 OCH3 M SBV 2 34 -7.3896 6.0200 S SKP 8 ID FLIA1CCS0002 KNApSAcK_ID C00006367 NAME Pueraria glycoside 3 CAS_RN 117047-07-1 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES O(C4CO)C(C(O)C(C4O)O)c(c21)c(ccc(C(=O)C(c(c3)cc(c(c3)O)OC)=CO2)1)O M END