Mol:FL5FGANI0002
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8045 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8045 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4444 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4444 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7159 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7159 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3475 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3475 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7075 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7075 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4360 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4360 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6189 -2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6189 -2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2505 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2505 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6105 -3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6105 -3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3390 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3390 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1178 -2.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1178 -2.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2423 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2423 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5189 -4.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5189 -4.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1435 -4.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1435 -4.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5088 -4.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5088 -4.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7855 -4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7855 -4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4099 -3.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4099 -3.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3556 -1.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3556 -1.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5332 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5332 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2037 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2037 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4751 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4751 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 -0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 -0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1067 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1067 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3781 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3781 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0098 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0098 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0178 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0178 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4155 -0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4155 -0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7642 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7642 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6731 -4.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6731 -4.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0958 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0958 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8842 -5.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8842 -5.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5356 -6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5356 -6.1389 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 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 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 33 2.7178 1.1426 | + | M SVB 3 33 2.7178 1.1426 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 0.6598 -1.009 | + | M SVB 2 31 0.6598 -1.009 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -2.4787 -0.7113 | + | M SVB 1 29 -2.4787 -0.7113 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGANI0002 | + | ID FL5FGANI0002 |
| − | KNApSAcK_ID C00004934 | + | KNApSAcK_ID C00004934 |
| − | NAME 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate | + | NAME 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate |
| − | CAS_RN 142609-03-8 | + | CAS_RN 142609-03-8 |
| − | FORMULA C23H24O9 | + | FORMULA C23H24O9 |
| − | EXACTMASS 444.14203236599997 | + | EXACTMASS 444.14203236599997 |
| − | AVERAGEMASS 444.43126 | + | AVERAGEMASS 444.43126 |
| − | SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c1OC(CC(C)C)=O)O)OC | + | SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c1OC(CC(C)C)=O)O)OC |
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 34 0 0 0 0 0 0 0 0999 V2000
-0.8045 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7159 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3475 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7075 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6189 -2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2505 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 -3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3390 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1178 -2.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2423 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 -4.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 -4.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5088 -4.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7855 -4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4099 -3.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3556 -1.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2037 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4751 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 -0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1067 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3781 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0098 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0178 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4155 -0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7642 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6731 -4.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8842 -5.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5356 -6.1389 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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 33
M SMT 3 OCH3
M SVB 3 33 2.7178 1.1426
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 0.6598 -1.009
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -2.4787 -0.7113
S SKP 8
ID FL5FGANI0002
KNApSAcK_ID C00004934
NAME 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate
CAS_RN 142609-03-8
FORMULA C23H24O9
EXACTMASS 444.14203236599997
AVERAGEMASS 444.43126
SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c1OC(CC(C)C)=O)O)OC
M END
