Mol:FL4DACNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4156 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4156 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6955 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6955 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4244 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4244 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7116 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7116 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0040 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0040 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0153 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0153 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7171 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7171 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4352 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4352 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4420 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4420 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7353 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7353 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1638 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1638 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1727 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1727 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8918 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8918 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6002 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6002 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5938 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5938 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8739 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8739 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7022 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7022 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7116 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7116 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1239 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1239 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1798 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1798 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1433 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1433 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2730 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2730 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1530 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1530 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9080 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9080 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6075 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6075 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6075 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6075 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2730 -0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2730 -0.5827 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 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 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNI0004 | + | ID FL4DACNI0004 |
| − | KNApSAcK_ID C00014400 | + | KNApSAcK_ID C00014400 |
| − | NAME 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone | + | NAME 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone |
| − | CAS_RN 220936-65-2 | + | CAS_RN 220936-65-2 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)O)=O | + | SMILES c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4156 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0153 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4352 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4420 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5938 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8739 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1798 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2730 0.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1530 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6075 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6075 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2730 -0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL4DACNI0004
KNApSAcK_ID C00014400
NAME 6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone
CAS_RN 220936-65-2
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)O)=O
M END
