Mol:FL2FAANP0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3255 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3255 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3113 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3113 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4295 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4295 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1033 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1033 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0940 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0940 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4102 -0.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4102 -0.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8085 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8085 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4295 -2.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4295 -2.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5230 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5230 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2375 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2375 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2375 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2375 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5230 1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5230 1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8085 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8085 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7400 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7400 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7400 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7400 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 -2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8627 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8627 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4544 -0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4544 -0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1688 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1688 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1688 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1688 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4544 -1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4544 -1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8627 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8627 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8040 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8040 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6019 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6019 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6019 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6019 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4269 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4269 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8394 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8394 0.5702 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 26 1 0 0 0 0 | + | 29 26 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0020 | + | ID FL2FAANP0020 |
| − | KNApSAcK_ID C00014259 | + | KNApSAcK_ID C00014259 |
| − | NAME Derriflavanone | + | NAME Derriflavanone |
| − | CAS_RN 146503-29-9 | + | CAS_RN 146503-29-9 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES O(c31)C(c(c5)ccc(O)c5)CC(c(c(O)c(C=2)c(c3C(C(OC)4)OC4(C)C)OC(C)(C)C2)1)=O | + | SMILES O(c31)C(c(c5)ccc(O)c5)CC(c(c(O)c(C=2)c(c3C(C(OC)4)OC4(C)C)OC(C)(C)C2)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-0.3255 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3113 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4295 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1033 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 -0.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4295 -2.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2375 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2375 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7400 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7400 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8627 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4544 -0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1688 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1688 -1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4544 -1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8627 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8040 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6019 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6019 2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4269 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8394 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 1 1 0 0 0 0
17 18 1 0 0 0 0
11 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 16 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 26 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL2FAANP0020
KNApSAcK_ID C00014259
NAME Derriflavanone
CAS_RN 146503-29-9
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES O(c31)C(c(c5)ccc(O)c5)CC(c(c(O)c(C=2)c(c3C(C(OC)4)OC4(C)C)OC(C)(C)C2)1)=O
M END
