Mol:FL5FACNS0003
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 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3117 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3117 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2194 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2194 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3117 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3117 0.7183 0.0000 C 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 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 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 FL5FACNS0003 | + | ID FL5FACNS0003 |
| − | KNApSAcK_ID C00004929 | + | KNApSAcK_ID C00004929 |
| − | NAME Quercetin 3'-isobutyrate | + | NAME Quercetin 3'-isobutyrate |
| − | CAS_RN 102607-69-2 | + | CAS_RN 102607-69-2 |
| − | FORMULA C19H16O8 | + | FORMULA C19H16O8 |
| − | EXACTMASS 372.08451748799996 | + | EXACTMASS 372.08451748799996 |
| − | AVERAGEMASS 372.32554 | + | AVERAGEMASS 372.32554 |
| − | SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC(=O)C(C)C)c(O)c3)=C(C2=O)O)1 | + | SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC(=O)C(C)C)c(O)c3)=C(C2=O)O)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 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2194 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 0.7183 0.0000 C 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
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL5FACNS0003
KNApSAcK_ID C00004929
NAME Quercetin 3'-isobutyrate
CAS_RN 102607-69-2
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC(=O)C(C)C)c(O)c3)=C(C2=O)O)1
M END
