Mol:FLIAECNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9657 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9657 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9657 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9657 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4094 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4094 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8531 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8531 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8531 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8531 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4094 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4094 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2968 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2968 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2595 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2595 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2595 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2595 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2968 0.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2968 0.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8156 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8156 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8156 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8156 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4104 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4104 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0051 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0051 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0051 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0051 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4104 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4104 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2968 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2968 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6583 -1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6583 -1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0620 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0620 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6583 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6583 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5218 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5218 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4094 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4094 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9655 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9655 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5218 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5218 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5218 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5218 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0620 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0620 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6802 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6802 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6721 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6721 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4094 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4094 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4094 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4094 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 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 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 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 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -1.8459 -0.9214 | + | M SVB 2 33 -1.8459 -0.9214 |
| − | 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 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -2.6802 -0.3483 | + | M SVB 1 31 -2.6802 -0.3483 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNP0001 | + | ID FLIAECNP0001 |
| − | KNApSAcK_ID C00009913 | + | KNApSAcK_ID C00009913 |
| − | NAME 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone | + | NAME 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| − | CAS_RN 124596-67-4 | + | CAS_RN 124596-67-4 |
| − | FORMULA C23H20O7 | + | FORMULA C23H20O7 |
| − | EXACTMASS 408.120902994 | + | EXACTMASS 408.120902994 |
| − | AVERAGEMASS 408.40070000000003 | + | AVERAGEMASS 408.40070000000003 |
| − | SMILES CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC | + | SMILES CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.9657 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9657 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 0.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 -1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0620 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0620 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6802 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6721 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 21 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
3 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -1.8459 -0.9214
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.6802 -0.3483
S SKP 8
ID FLIAECNP0001
KNApSAcK_ID C00009913
NAME 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
CAS_RN 124596-67-4
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC
M END
