Mol:FL5FEGNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4698 -1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4698 -1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0224 3.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0224 3.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5338 3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5338 3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1767 4.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1767 4.0114 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 2.241 1.1662 | + | M SVB 3 28 2.241 1.1662 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.9555 -0.6877 | + | M SVB 2 26 -2.9555 -0.6877 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 1.3907 1.7424 | + | M SVB 1 24 1.3907 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEGNS0006 | + | ID FL5FEGNS0006 |
| − | KNApSAcK_ID C00004826 | + | KNApSAcK_ID C00004826 |
| − | NAME 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone | + | NAME 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone |
| − | CAS_RN 139889-56-8 | + | CAS_RN 139889-56-8 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(OC)c(O)2)OC)O)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(OC)c(O)2)OC)O)=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/ 27 29 0 0 0 0 0 0 0 0999 V2000 -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -1.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0224 3.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1767 4.0114 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 2.241 1.1662 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.9555 -0.6877 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 1.3907 1.7424 S SKP 8 ID FL5FEGNS0006 KNApSAcK_ID C00004826 NAME 3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone CAS_RN 139889-56-8 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(OC)c(O)2)OC)O)=O M END
