Mol:FL63ACGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3913 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3913 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3913 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3913 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6768 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6768 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0376 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0376 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0376 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0376 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6768 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6768 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4665 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4665 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4665 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4665 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1810 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1810 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9014 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9014 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6218 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6218 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6218 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6218 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9014 1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9014 1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1810 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1810 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3111 1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3111 1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1057 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1057 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1810 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1810 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6768 -2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6768 -2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6465 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6465 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9220 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9220 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1520 0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1520 0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9220 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9220 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6465 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6465 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4168 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4168 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3480 2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3480 2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9413 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9413 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1288 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1288 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3111 0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3111 0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9014 2.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9014 2.0462 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 |
| − | 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 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0018 | + | ID FL63ACGS0018 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)c1)O | + | SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)c1)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.3913 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3913 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6768 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0376 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0376 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6768 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4665 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4665 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6218 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6218 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3111 1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1057 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6768 -2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6465 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9220 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1520 0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9220 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6465 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4168 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3480 2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1288 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3111 0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 2.0462 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
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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
15 31 1 0 0 0 0
S SKP 5
ID FL63ACGS0018
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)c1)O
M END
