Mol:FL2FCANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1418 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1418 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1390 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1390 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7104 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7104 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7105 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7105 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4266 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4266 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0086 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0086 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7185 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7185 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7162 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7162 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0039 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0039 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8574 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8574 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8572 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8572 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1427 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4283 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4283 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0086 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0086 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8563 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8563 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4266 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4266 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5716 1.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5716 1.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5716 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5716 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8562 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8562 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 19 24 2 0 0 0 0 | + | 19 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCANI0003 | + | ID FL2FCANI0003 |
| − | KNApSAcK_ID C00014161 | + | KNApSAcK_ID C00014161 |
| − | NAME Mundulea flavanone B;7-O-Methyl-8-prenylnaringenin;7-Methyl-4'-hydroxyglabranin | + | NAME Mundulea flavanone B;7-O-Methyl-8-prenylnaringenin;7-Methyl-4'-hydroxyglabranin |
| − | CAS_RN 201805-81-4 | + | CAS_RN 201805-81-4 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1418 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7104 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7105 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7162 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0039 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8574 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8563 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5716 1.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5716 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8562 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 6 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
6 20 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
14 22 1 0 0 0 0
18 23 1 0 0 0 0
19 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FCANI0003
KNApSAcK_ID C00014161
NAME Mundulea flavanone B;7-O-Methyl-8-prenylnaringenin;7-Methyl-4'-hydroxyglabranin
CAS_RN 201805-81-4
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(CC(=O)2)c(c1)ccc(O)c1
M END
