Mol:FLIAAENP0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6288 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6288 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5964 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5964 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1851 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1851 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7414 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7414 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7414 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7414 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7414 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7414 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2935 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2935 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2081 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2081 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0742 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0742 -1.6713 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 2 0 0 0 0 | + | 22 20 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 2.579 -0.8775 | + | M SVB 1 29 2.579 -0.8775 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAENP0001 | + | ID FLIAAENP0001 |
| − | KNApSAcK_ID C00009506 | + | KNApSAcK_ID C00009506 |
| − | NAME 3'-Hydroxyalpinumisoflavone 4'-methyl ether | + | NAME 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
| − | CAS_RN 84395-23-3 | + | CAS_RN 84395-23-3 |
| − | FORMULA C21H18O6 | + | FORMULA C21H18O6 |
| − | EXACTMASS 366.110338308 | + | EXACTMASS 366.110338308 |
| − | AVERAGEMASS 366.36402 | + | AVERAGEMASS 366.36402 |
| − | SMILES c(C3=O)(c2O)c(OC=C(c(c4)cc(O)c(OC)c4)3)cc(c12)OC(C=C1)(C)C | + | SMILES c(C3=O)(c2O)c(OC=C(c(c4)cc(O)c(OC)c4)3)cc(c12)OC(C=C1)(C)C |
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 30 0 0 0 0 0 0 0 0999 V2000
-1.6288 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7414 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7414 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7414 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2935 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2081 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0742 -1.6713 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 2 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.579 -0.8775
S SKP 8
ID FLIAAENP0001
KNApSAcK_ID C00009506
NAME 3'-Hydroxyalpinumisoflavone 4'-methyl ether
CAS_RN 84395-23-3
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES c(C3=O)(c2O)c(OC=C(c(c4)cc(O)c(OC)c4)3)cc(c12)OC(C=C1)(C)C
M END
