Mol:FL2FAAGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4335 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4335 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4335 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4335 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0669 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0669 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5674 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5674 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5674 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5674 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.0971 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0971 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.7483 -1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7483 -1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6103 -0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6103 -0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0969 -0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0969 -0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0969 0.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0969 0.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 20 23 1 1 0 0 0 | + | 20 23 1 1 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 32 30 1 0 0 0 0 | + | 32 30 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 3 41 1 0 0 0 0 | + | 3 41 1 0 0 0 0 |
| − | 7 42 2 0 0 0 0 | + | 7 42 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAAGS0002 | + | ID FL2FAAGS0002 |
| − | KNApSAcK_ID C00000984 | + | KNApSAcK_ID C00000984 |
| − | NAME Narirutin | + | NAME Narirutin |
| − | CAS_RN 14259-46-2 | + | CAS_RN 14259-46-2 |
| − | FORMULA C27H32O14 | + | FORMULA C27H32O14 |
| − | EXACTMASS 580.179205732 | + | EXACTMASS 580.179205732 |
| − | AVERAGEMASS 580.53458 | + | AVERAGEMASS 580.53458 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c45)C(CC(O4)([H])c(c3)ccc(c3)O)=O)O)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c45)C(CC(O4)([H])c(c3)ccc(c3)O)=O)O)O)C(C(O)C(O)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/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.4335 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4335 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5674 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5674 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0678 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5683 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5683 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0678 -0.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0684 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0971 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0971 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0684 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5683 0.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6103 0.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9543 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4658 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2385 -0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7734 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2020 -0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5809 -0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7483 -1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6103 -0.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4193 -1.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0969 -0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0969 0.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8673 1.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2179 1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5436 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8653 1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5146 1.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1889 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5436 2.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9509 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -2.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0678 -1.9372 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 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
9 17 1 1 0 0 0
14 18 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
20 23 1 1 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
23 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
1 19 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 30 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
35 39 1 0 0 0 0
36 40 1 0 0 0 0
3 41 1 0 0 0 0
7 42 2 0 0 0 0
S SKP 8
ID FL2FAAGS0002
KNApSAcK_ID C00000984
NAME Narirutin
CAS_RN 14259-46-2
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C2Oc(c5)cc(c(c45)C(CC(O4)([H])c(c3)ccc(c3)O)=O)O)O)C(C(O)C(O)1)O
M END
