Mol:FLIAALNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7681 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7681 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7681 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7681 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2676 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2676 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7672 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7672 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7672 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7672 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2676 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2676 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2337 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2337 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2337 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2337 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7339 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7339 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7339 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7339 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1980 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1980 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6621 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6621 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1980 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1980 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1253 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1253 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2706 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2706 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2676 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2676 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1253 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1253 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6253 2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6253 2.0106 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 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 2 0 0 0 0 | + | 17 12 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.1253 1.1446 | + | M SVB 1 23 -2.1253 1.1446 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNS0001 | + | ID FLIAALNS0001 |
| − | KNApSAcK_ID C00002512 | + | KNApSAcK_ID C00002512 |
| − | NAME Cajanin;5,2',4'-Trihydroxy-7-methoxyisoflavone | + | NAME Cajanin;5,2',4'-Trihydroxy-7-methoxyisoflavone |
| − | CAS_RN 32884-36-9 | + | CAS_RN 32884-36-9 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1 | + | SMILES COc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)c(O)cc(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/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7681 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7681 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2337 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2337 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 -0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1253 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2706 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 -0.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6253 2.0106 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
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
15 18 1 0 0 0 0
13 19 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.1253 1.1446
S SKP 8
ID FLIAALNS0001
KNApSAcK_ID C00002512
NAME Cajanin;5,2',4'-Trihydroxy-7-methoxyisoflavone
CAS_RN 32884-36-9
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1
M END
