Mol:FL5FACNS0004
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 |
| − | -2.8096 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2533 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2533 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6970 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6970 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6970 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6970 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2533 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2533 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5844 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5844 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5844 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5844 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1407 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1407 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5386 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5386 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1056 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1056 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1056 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1056 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5386 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5386 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0283 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0283 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2533 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2533 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3657 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3657 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6724 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6724 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5386 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5386 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2381 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2381 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8025 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8025 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2381 0.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2381 0.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3657 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3657 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8025 1.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8025 1.7767 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNS0004 | + | ID FL5FACNS0004 |
| − | KNApSAcK_ID C00004930 | + | KNApSAcK_ID C00004930 |
| − | NAME Quercetin 4'-isobutyrate | + | NAME Quercetin 4'-isobutyrate |
| − | CAS_RN 102607-62-5 | + | CAS_RN 102607-62-5 |
| − | 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(O)c(c3)OC(=O)C(C)C)=C(C2=O)O)1 | + | SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(O)c(c3)OC(=O)C(C)C)=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
-2.8096 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6970 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6970 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5844 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5844 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1407 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1056 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1056 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3657 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6724 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2381 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2381 0.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3657 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 1.7767 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
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL5FACNS0004
KNApSAcK_ID C00004930
NAME Quercetin 4'-isobutyrate
CAS_RN 102607-62-5
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(O)c(c3)OC(=O)C(C)C)=C(C2=O)O)1
M END
