Mol:FLIA3CNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1472 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1472 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1472 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1472 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5909 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5909 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0346 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0346 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0346 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0346 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5909 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5909 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5217 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5217 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0780 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0780 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0780 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0780 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5217 0.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5217 0.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6341 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6341 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2289 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2289 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8236 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8236 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8236 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8236 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2289 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2289 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7033 0.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7033 0.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5217 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5217 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4768 -1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4768 -1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8805 -0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8805 -0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4768 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4768 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2479 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2479 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7921 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7921 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3363 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3363 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8805 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8805 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3362 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3362 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3129 1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3129 1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1236 2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1236 2.1587 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 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 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 -0.3129 1.259 | + | M SVB 1 30 -0.3129 1.259 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3CNI0001 | + | ID FLIA3CNI0001 |
| − | KNApSAcK_ID C00009822 | + | KNApSAcK_ID C00009822 |
| − | NAME 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone | + | NAME 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone |
| − | CAS_RN 82345-37-7 | + | CAS_RN 82345-37-7 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES c(c4OCC=C(C)C)(OC)c(O3)c(cc4)C(=O)C(=C3)c(c2)cc(O1)c(c2)OC1 | + | SMILES c(c4OCC=C(C)C)(OC)c(O3)c(cc4)C(=O)C(=C3)c(c2)cc(O1)c(c2)OC1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.1472 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1472 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 0.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2289 -1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2289 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8805 -0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3363 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8805 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3362 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 2.1587 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -0.3129 1.259
S SKP 8
ID FLIA3CNI0001
KNApSAcK_ID C00009822
NAME 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone
CAS_RN 82345-37-7
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(c4OCC=C(C)C)(OC)c(O3)c(cc4)C(=O)C(=C3)c(c2)cc(O1)c(c2)OC1
M END
