Mol:FL2FEANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2521 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2521 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2521 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2521 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0269 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0269 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0269 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0269 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5292 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5292 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0961 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0961 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6631 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6631 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6631 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6631 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0961 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0961 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5292 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5292 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2521 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2521 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9666 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9666 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6094 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6094 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1095 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1095 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9666 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9666 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9585 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9585 -0.3137 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 26 | + | M SBL 4 1 26 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 26 -2.9666 -0.4406 | + | M SVB 4 26 -2.9666 -0.4406 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -2.6094 0.7291 | + | M SVB 3 24 -2.6094 0.7291 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.1323 -1.0137 | + | M SVB 2 22 -2.1323 -1.0137 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 2.2521 1.4262 | + | M SVB 1 20 2.2521 1.4262 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEANS0003 | + | ID FL2FEANS0003 |
| − | KNApSAcK_ID C00008234 | + | KNApSAcK_ID C00008234 |
| − | NAME 5,6,7,4'-Tetramethoxyflavanone | + | NAME 5,6,7,4'-Tetramethoxyflavanone |
| − | CAS_RN 72943-90-9 | + | CAS_RN 72943-90-9 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(OC)c3)c(c1OC)OC | + | SMILES c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(OC)c3)c(c1OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2521 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5832 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0961 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0961 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2521 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9666 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1095 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9585 -0.3137 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.9666 -0.4406
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -2.6094 0.7291
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.1323 -1.0137
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.2521 1.4262
S SKP 8
ID FL2FEANS0003
KNApSAcK_ID C00008234
NAME 5,6,7,4'-Tetramethoxyflavanone
CAS_RN 72943-90-9
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(OC)c3)c(c1OC)OC
M END
