Mol:FL63AANM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4428 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 0.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 0.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9770 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9770 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9769 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9769 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5438 2.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5438 2.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -1.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -1.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2090 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2090 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7580 -1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7580 -1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2090 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2090 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 -0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 -0.4159 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 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 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 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 17 4 1 0 0 0 0 | + | 17 4 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 6 20 1 1 0 0 0 | + | 6 20 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 7 24 1 6 0 0 0 | + | 7 24 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AANM0001 | + | ID FL63AANM0001 |
| − | KNApSAcK_ID C00009316 | + | KNApSAcK_ID C00009316 |
| − | NAME 3'-Deoxydryopteric acid | + | NAME 3'-Deoxydryopteric acid |
| − | CAS_RN 156521-53-8 | + | CAS_RN 156521-53-8 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES OC(=O)CC(C(O)1)c(c(O)3)c(cc(O)c3)OC(c(c2)ccc(O)c2)1 | + | SMILES OC(=O)CC(C(O)1)c(c(O)3)c(cc(O)c3)OC(c(c2)ccc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4428 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 0.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -1.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 -1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.4159 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
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 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 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
17 19 1 0 0 0 0
6 20 1 1 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
7 24 1 6 0 0 0
S SKP 8
ID FL63AANM0001
KNApSAcK_ID C00009316
NAME 3'-Deoxydryopteric acid
CAS_RN 156521-53-8
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES OC(=O)CC(C(O)1)c(c(O)3)c(cc(O)c3)OC(c(c2)ccc(O)c2)1
M END
