Mol:FL3FBANI0001
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 |
| − | -0.5665 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5665 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5665 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5665 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0102 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0102 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0102 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0102 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1024 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1024 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6587 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6587 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6587 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6587 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1024 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1024 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1024 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1024 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2148 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2148 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7818 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7818 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3487 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3487 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3487 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3487 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7818 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7818 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2148 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2148 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1226 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1226 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9156 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9156 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6787 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6787 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4624 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4624 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8520 1.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8520 1.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2416 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2416 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9156 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9156 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7919 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7919 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4466 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4466 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2678 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2678 -1.4198 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 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 SBV 1 29 -6.1344 2.8231 | + | M SBV 1 29 -6.1344 2.8231 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FBANI0001 | + | ID FL3FBANI0001 |
| − | KNApSAcK_ID C00003929 | + | KNApSAcK_ID C00003929 |
| − | NAME 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone | + | NAME 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone |
| − | CAS_RN 94390-12-2 | + | CAS_RN 94390-12-2 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c3)c(c(cc(OCC(C(C)(C)4)O4)3)2)C(=O)C=C(O2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(c(cc(OCC(C(C)(C)4)O4)3)2)C(=O)C=C(O2)c(c1)ccc(O)c1 |
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
-0.5665 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3487 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3487 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1226 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9156 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4624 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8520 1.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2416 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9156 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7919 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4466 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2678 -1.4198 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
18 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
21 20 1 0 0 0 0
3 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 SBV 1 29 -6.1344 2.8231
S SKP 8
ID FL3FBANI0001
KNApSAcK_ID C00003929
NAME 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone
CAS_RN 94390-12-2
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c3)c(c(cc(OCC(C(C)(C)4)O4)3)2)C(=O)C=C(O2)c(c1)ccc(O)c1
M END
