Mol:FL3FFCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3126 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3126 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3126 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3126 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7563 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7563 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2000 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2000 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2000 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2000 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7563 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7563 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6437 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6437 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0874 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0874 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0874 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0874 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6437 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6437 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6437 -1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6437 -1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4687 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4687 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0356 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0356 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6026 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6026 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0356 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0356 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4687 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4687 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8689 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8689 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8689 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8689 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3126 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3126 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7563 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7563 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6503 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6503 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1460 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1460 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6699 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6699 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1699 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1699 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4783 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4783 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0418 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0418 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3190 2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3190 2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7604 3.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7604 3.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6026 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6026 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6026 1.3106 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 3 1 0 0 0 0 | + | 21 3 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 30 31 | + | M SAL 4 2 30 31 |
| − | M SBL 4 1 33 | + | M SBL 4 1 33 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 33 2.1545 1.6292 | + | M SVB 4 33 2.1545 1.6292 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 1.319 2.214 | + | M SVB 3 31 1.319 2.214 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -1.4783 1.229 | + | M SVB 2 29 -1.4783 1.229 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.6699 0.9536 | + | M SVB 1 27 -2.6699 0.9536 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCNP0001 | + | ID FL3FFCNP0001 |
| − | KNApSAcK_ID C00004067 | + | KNApSAcK_ID C00004067 |
| − | NAME 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone | + | NAME 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
| − | CAS_RN 137319-32-5 | + | CAS_RN 137319-32-5 |
| − | FORMULA C24H24O7 | + | FORMULA C24H24O7 |
| − | EXACTMASS 424.152203122 | + | EXACTMASS 424.152203122 |
| − | AVERAGEMASS 424.44316000000003 | + | AVERAGEMASS 424.44316000000003 |
| − | SMILES O(c42)C(=CC(=O)c2c(c3c(c4OC)OC)OC(C)(C)C=C3)c(c1)ccc(c(OC)1)OC | + | SMILES O(c42)C(=CC(=O)c2c(c3c(c4OC)OC)OC(C)(C)C=C3)c(c1)ccc(c(OC)1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.3126 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3126 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 -1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3126 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6699 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7604 3.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6026 1.3106 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
2 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 3 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 2.1545 1.6292
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 1.319 2.214
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.4783 1.229
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.6699 0.9536
S SKP 8
ID FL3FFCNP0001
KNApSAcK_ID C00004067
NAME 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
CAS_RN 137319-32-5
FORMULA C24H24O7
EXACTMASS 424.152203122
AVERAGEMASS 424.44316000000003
SMILES O(c42)C(=CC(=O)c2c(c3c(c4OC)OC)OC(C)(C)C=C3)c(c1)ccc(c(OC)1)OC
M END
