Mol:FL5FGCNS0014
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8930 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8930 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2604 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2604 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0407 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0407 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4536 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4536 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0862 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0862 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3059 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3059 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2339 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2339 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6468 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6468 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2794 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2794 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4991 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4991 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7406 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7406 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4682 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4682 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8891 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8891 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5338 2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5338 2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7577 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7577 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3369 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3369 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4084 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4084 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7075 3.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7075 3.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3049 2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3049 2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9185 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9185 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8803 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8803 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3743 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3743 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3346 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3346 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3518 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3518 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4404 -1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4404 -1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2065 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2065 -2.3088 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 -2.241 0.482 | + | M SVB 5 30 -2.241 0.482 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -2.5983 -0.6877 | + | M SVB 4 28 -2.5983 -0.6877 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.7479 1.7424 | + | M SVB 3 26 1.7479 1.7424 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -1.0494 0.7574 | + | M SVB 2 24 -1.0494 0.7574 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.5403 -0.9854 | + | M SVB 1 22 0.5403 -0.9854 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0014 | + | ID FL5FGCNS0014 |
| − | KNApSAcK_ID C00004799 | + | KNApSAcK_ID C00004799 |
| − | NAME 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone;3'-Methoxycalycopterin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone;3'-Methoxycalycopterin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 50439-47-9 | + | CAS_RN 50439-47-9 |
| − | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
| − | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
| − | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
| − | SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(c(O)c3)OC)O2)OC)=O)O)OC)OC | + | SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(c(O)c3)OC)O2)OC)=O)O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.8930 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 1.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 3.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 -1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.3088 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 28 29 M SBL 5 1 30 M SMT 5 OCH3 M SVB 5 30 -2.241 0.482 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 -2.5983 -0.6877 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.7479 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -1.0494 0.7574 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 0.5403 -0.9854 S SKP 8 ID FL5FGCNS0014 KNApSAcK_ID C00004799 NAME 5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone;3'-Methoxycalycopterin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one CAS_RN 50439-47-9 FORMULA C20H20O9 EXACTMASS 404.11073223799997 AVERAGEMASS 404.3674 SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(c(O)c3)OC)O2)OC)=O)O)OC)OC M END
