Mol:FLIAA9NIN001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0139 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0139 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0139 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0139 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5481 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5481 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0823 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0823 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0823 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0823 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5481 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5481 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6165 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6165 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1507 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1507 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1507 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1507 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6165 1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6165 1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3150 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3150 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7808 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7808 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3150 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3150 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7808 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7808 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2466 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2466 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2466 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2466 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7808 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7808 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6463 -0.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6463 -0.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6165 -0.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6165 -0.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4267 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4267 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5481 -0.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5481 -0.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7808 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7808 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2464 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2464 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2464 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2464 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7808 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7808 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7120 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7120 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1506 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1506 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1506 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1506 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6732 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6732 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1889 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1889 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5414 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7122 0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7122 0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4267 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4267 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
− | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
− | 12 22 1 0 0 0 0 | + | 12 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 |
− | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 34 -5.1844 5.1026 | + | M SBV 1 34 -5.1844 5.1026 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAA9NIN001 | + | ID FLIAA9NIN001 |
− | KNApSAcK_ID C00002561 | + | KNApSAcK_ID C00002561 |
− | NAME Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone | + | NAME Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone |
− | CAS_RN 132923-36-5 | + | CAS_RN 132923-36-5 |
− | FORMULA C26H29NO6 | + | FORMULA C26H29NO6 |
− | EXACTMASS 451.199487665 | + | EXACTMASS 451.199487665 |
− | AVERAGEMASS 451.51159999999993 | + | AVERAGEMASS 451.51159999999993 |
− | SMILES C(=C2)(c(c(CC=C(C)C)3)c(c(O)c(c3OC)N)CC=C(C)C)C(=O)c(c(O2)1)c(O)cc(O)c1 | + | SMILES C(=C2)(c(c(CC=C(C)C)3)c(c(O)c(c3OC)N)CC=C(C)C)C(=O)c(c(O2)1)c(O)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -2.0139 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -0.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -0.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -0.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6732 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4267 0.0471 0.0000 C 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 14 17 1 0 0 0 0 18 15 1 0 0 0 0 7 19 2 0 0 0 0 20 1 1 0 0 0 0 3 21 1 0 0 0 0 12 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 13 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -5.1844 5.1026 S SKP 8 ID FLIAA9NIN001 KNApSAcK_ID C00002561 NAME Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone CAS_RN 132923-36-5 FORMULA C26H29NO6 EXACTMASS 451.199487665 AVERAGEMASS 451.51159999999993 SMILES C(=C2)(c(c(CC=C(C)C)3)c(c(O)c(c3OC)N)CC=C(C)C)C(=O)c(c(O2)1)c(O)cc(O)c1 M END