Mol:FL63ACNS0025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.6125 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6125 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6125 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6125 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0740 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0740 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5355 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5355 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5355 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5355 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0740 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0740 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9970 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9970 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4584 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4584 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4584 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4584 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9970 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9970 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1508 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1508 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9789 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9789 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4342 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4342 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1105 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1105 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1105 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1105 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4342 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4342 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9789 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9789 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4342 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4342 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0365 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0365 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6547 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6547 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0365 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0365 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7394 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7394 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0740 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0740 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3340 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3340 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3674 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3674 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0676 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0676 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7678 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7678 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4679 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4679 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3674 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3674 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4679 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4679 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0289 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0289 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5899 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5899 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5899 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5899 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0289 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0289 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1508 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1508 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1508 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1508 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3674 -2.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3674 -2.0650 0.0000 H 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 28 1 0 0 0 0 | + | 34 28 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 25 37 1 6 0 0 0 | + | 25 37 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNS0025 | + | ID FL63ACNS0025 |
| − | KNApSAcK_ID C00008899 | + | KNApSAcK_ID C00008899 |
| − | NAME Phylloflavan | + | NAME Phylloflavan |
| − | CAS_RN 98570-83-3 | + | CAS_RN 98570-83-3 |
| − | FORMULA C26H26O10 | + | FORMULA C26H26O10 |
| − | EXACTMASS 498.152597052 | + | EXACTMASS 498.152597052 |
| − | AVERAGEMASS 498.4786399999999 | + | AVERAGEMASS 498.4786399999999 |
| − | SMILES O(C(C(c(c4)ccc(c(O)4)O)3)Cc(c(O)2)c(O3)cc(O)c2)C(CC([H])(O)CCc(c1)cc(O)c(c1)O)=O | + | SMILES O(C(C(c(c4)ccc(c(O)4)O)3)Cc(c(O)2)c(O3)cc(O)c2)C(CC([H])(O)CCc(c1)cc(O)c(c1)O)=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/
37 40 0 0 0 0 0 0 0 0999 V2000
-3.6125 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6125 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0740 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0740 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1508 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9789 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9789 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0740 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3340 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0676 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4679 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4679 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5899 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5899 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -2.0650 0.0000 H 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
1 11 1 0 0 0 0
9 12 1 6 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
16 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
3 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
25 29 1 0 0 0 0
28 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 28 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
25 37 1 6 0 0 0
S SKP 8
ID FL63ACNS0025
KNApSAcK_ID C00008899
NAME Phylloflavan
CAS_RN 98570-83-3
FORMULA C26H26O10
EXACTMASS 498.152597052
AVERAGEMASS 498.4786399999999
SMILES O(C(C(c(c4)ccc(c(O)4)O)3)Cc(c(O)2)c(O3)cc(O)c2)C(CC([H])(O)CCc(c1)cc(O)c(c1)O)=O
M END
