Mol:FL3FAACS0069
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.8753 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8753 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8753 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8753 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5897 -0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5897 -0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3041 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3041 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3041 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3041 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5897 1.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5897 1.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1216 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1216 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4071 0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4071 0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3074 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3074 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3074 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3074 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4071 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4071 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1216 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1216 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0217 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7362 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7362 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7362 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7362 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0217 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4073 0.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4073 0.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0217 -2.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0217 -2.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4071 -2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4071 -2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9070 1.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9070 1.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4053 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4053 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2286 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2286 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6763 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6763 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5136 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5136 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6902 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6902 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2425 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8175 2.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8175 2.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2286 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2286 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3562 1.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3562 1.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3878 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3878 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8572 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8572 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7991 -1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7991 -1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3296 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3296 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8603 -0.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8603 -0.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9184 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9184 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9070 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9070 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3299 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3299 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4109 -2.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4109 -2.2428 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0069 | + | ID FL3FAACS0069 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)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/
38 42 0 0 0 0 0 0 0 0999 V2000
1.8753 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8753 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 -0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3041 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3041 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 1.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4071 0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3074 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3074 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4071 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0217 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 -1.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0217 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4073 0.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0217 -2.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4071 -2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9070 1.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6763 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5136 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6902 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8175 2.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 1.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3878 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8572 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7991 -1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3296 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8603 -0.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9070 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3299 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4109 -2.2428 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
13 24 1 0 0 0 0
15 33 1 0 0 0 0
S SKP 5
ID FL3FAACS0069
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O
M END
