Mol:FLIA1LNI0001
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 |
| − | -1.1517 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1517 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1517 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1517 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5954 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5954 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0391 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0391 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0391 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0391 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5954 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5954 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5172 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5172 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0735 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0735 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0735 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0735 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5172 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5172 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2243 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2243 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8191 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8191 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8191 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8191 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2243 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2243 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5172 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5172 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7086 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7086 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2369 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2369 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7935 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7935 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3206 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3206 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8760 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8760 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2923 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2923 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4723 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4723 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8760 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8760 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4723 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4723 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9151 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9151 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6296 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6296 -1.1571 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 12 27 1 0 0 0 0 | + | 12 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 SBV 1 30 -5.7808 3.3188 | + | M SBV 1 30 -5.7808 3.3188 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNI0001 | + | ID FLIA1LNI0001 |
| − | KNApSAcK_ID C00009442 | + | KNApSAcK_ID C00009442 |
| − | NAME Maximaisoflavone C | + | NAME Maximaisoflavone C |
| − | CAS_RN 10489-51-7 | + | CAS_RN 10489-51-7 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(C)C | + | SMILES c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(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/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.1517 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1517 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5954 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0391 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0391 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5954 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2243 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2243 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7086 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7935 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3206 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8760 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2923 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4723 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8760 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4723 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9151 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -1.1571 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
12 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 SBV 1 30 -5.7808 3.3188
S SKP 8
ID FLIA1LNI0001
KNApSAcK_ID C00009442
NAME Maximaisoflavone C
CAS_RN 10489-51-7
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(C)C
M END
