Mol:FL2FAANP0003
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5552 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5552 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0343 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0343 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5134 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5134 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5134 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5134 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0343 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0343 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5552 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5552 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0074 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0074 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5283 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5283 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5283 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5283 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0074 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0074 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0487 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0487 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0074 -1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0074 -1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5831 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5831 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1174 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1174 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1174 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1174 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5831 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5831 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0761 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0761 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0343 -1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0343 -1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0343 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0343 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5552 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5552 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0761 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0761 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6509 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6509 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6509 1.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6509 1.2521 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 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 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0003 | + | ID FL2FAANP0003 |
| − | KNApSAcK_ID C00008450 | + | KNApSAcK_ID C00008450 |
| − | NAME Citflavanone | + | NAME Citflavanone |
| − | CAS_RN 70872-27-4 | + | CAS_RN 70872-27-4 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2 | + | SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.5552 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5134 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5134 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5552 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5552 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6509 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6509 1.2521 0.0000 O 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
15 25 1 0 0 0 0
S SKP 8
ID FL2FAANP0003
KNApSAcK_ID C00008450
NAME Citflavanone
CAS_RN 70872-27-4
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2
M END
