Mol:FL5FACNS0002
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 |
| − | -1.9630 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3643 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3643 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 -1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 -1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0782 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0782 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4482 -2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 -2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 2.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 2.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNS0002 | + | ID FL5FACNS0002 |
| − | KNApSAcK_ID C00004928 | + | KNApSAcK_ID C00004928 |
| − | NAME Quercetin 3-isobutyrate | + | NAME Quercetin 3-isobutyrate |
| − | CAS_RN 102607-66-9 | + | CAS_RN 102607-66-9 |
| − | FORMULA C19H16O8 | + | FORMULA C19H16O8 |
| − | EXACTMASS 372.08451748799996 | + | EXACTMASS 372.08451748799996 |
| − | AVERAGEMASS 372.32554 | + | AVERAGEMASS 372.32554 |
| − | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)c(O)c3)=C(C2=O)OC(=O)C(C)C)1 | + | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)c(O)c3)=C(C2=O)OC(=O)C(C)C)1 |
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
-1.9630 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 -1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 -1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0782 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 -2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 2.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
15 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
16 27 1 0 0 0 0
S SKP 8
ID FL5FACNS0002
KNApSAcK_ID C00004928
NAME Quercetin 3-isobutyrate
CAS_RN 102607-66-9
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c12)(O)cc(O)cc(OC(c(c3)cc(O)c(O)c3)=C(C2=O)OC(=O)C(C)C)1
M END
