Mol:FL2FAANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1306 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1306 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3514 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3514 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6867 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6867 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2416 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2416 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3514 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3514 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1306 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6869 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6869 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6869 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6869 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0269 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0269 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2959 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2959 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 -1.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 -1.5790 0.0000 O 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 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 1 1 0 0 0 0 | + | 27 1 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0001 | + | ID FL2FAANP0001 |
| − | KNApSAcK_ID C00008249 | + | KNApSAcK_ID C00008249 |
| − | NAME Cajaflavanone | + | NAME Cajaflavanone |
| − | CAS_RN 68236-12-4 | + | CAS_RN 68236-12-4 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES c(c13)(C(=O)CC(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O | + | SMILES c(c13)(C(=O)CC(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.1306 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0269 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2959 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -1.5790 0.0000 O 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
2 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
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
3 30 1 0 0 0 0
S SKP 8
ID FL2FAANP0001
KNApSAcK_ID C00008249
NAME Cajaflavanone
CAS_RN 68236-12-4
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(c13)(C(=O)CC(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O
M END
