Mol:FL5FACGS0063
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3144 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3144 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3144 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3144 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4001 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4001 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1146 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1146 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4001 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4001 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7433 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7433 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4578 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4578 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7433 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7433 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8867 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8867 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1722 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7433 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7433 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3144 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3144 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1722 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7065 1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7065 1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7431 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7431 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2172 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2172 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4886 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4886 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2813 0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2813 0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8470 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8470 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5757 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5757 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7829 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7829 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6109 1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6109 1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1289 1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1289 1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6012 1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6012 1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5683 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5683 0.1345 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 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0063 | + | ID FL5FACGS0063 |
| − | KNApSAcK_ID C00013835 | + | KNApSAcK_ID C00013835 |
| − | NAME Quercetin 4'-galactoside | + | NAME Quercetin 4'-galactoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
| − | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
| − | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
| − | SMILES C(O1)(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(O)C(O)C(O)1 | + | SMILES C(O1)(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(O)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.3144 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3144 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4001 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1146 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4001 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8867 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3144 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7431 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2172 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4886 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2813 0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8470 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5757 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7829 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1289 1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6012 1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5683 0.1345 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 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
24 21 1 0 0 0 0
S SKP 8
ID FL5FACGS0063
KNApSAcK_ID C00013835
NAME Quercetin 4'-galactoside
CAS_RN -
FORMULA C20H18O12
EXACTMASS 450.07982604
AVERAGEMASS 450.34972
SMILES C(O1)(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(O)C(O)C(O)1
M END
