Mol:FL63AENS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2217 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2217 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2217 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2217 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6832 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6832 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1447 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1447 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1447 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1447 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6832 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6832 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6062 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6062 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0676 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0676 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0676 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0676 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6062 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6062 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7600 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7600 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6832 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6832 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4433 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4433 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4119 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4119 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9566 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5013 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5013 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5013 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5013 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9566 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4119 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4119 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9566 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9566 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0455 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0455 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7600 0.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7600 0.6603 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 1 0 0 0 0 | + | 8 9 1 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
− | 8 13 1 1 0 0 0 | + | 8 13 1 1 0 0 0 |
− | 9 14 1 6 0 0 0 | + | 9 14 1 6 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
− | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 23 | + | M SBL 1 1 23 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 23 -5.1178 4.3745 | + | M SBV 1 23 -5.1178 4.3745 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL63AENS0001 | + | ID FL63AENS0001 |
− | KNApSAcK_ID C00008810 | + | KNApSAcK_ID C00008810 |
− | NAME Catechin 4'-methyl ether | + | NAME Catechin 4'-methyl ether |
− | CAS_RN 69912-75-0 | + | CAS_RN 69912-75-0 |
− | FORMULA C16H16O6 | + | FORMULA C16H16O6 |
− | EXACTMASS 304.094688244 | + | EXACTMASS 304.094688244 |
− | AVERAGEMASS 304.29463999999996 | + | AVERAGEMASS 304.29463999999996 |
− | SMILES COc(c3)c(O)cc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c3)c(O)cc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.2217 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 0.6603 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 8 13 1 1 0 0 0 9 14 1 6 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -5.1178 4.3745 S SKP 8 ID FL63AENS0001 KNApSAcK_ID C00008810 NAME Catechin 4'-methyl ether CAS_RN 69912-75-0 FORMULA C16H16O6 EXACTMASS 304.094688244 AVERAGEMASS 304.29463999999996 SMILES COc(c3)c(O)cc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 M END