Mol:FL5F1CGS0001
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 |
| − | -0.5744 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5744 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5744 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5744 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0181 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0181 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5382 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5382 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0181 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0181 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0945 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0945 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6508 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6508 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6508 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6508 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0945 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0945 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0945 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0945 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2069 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2069 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7738 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7738 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3408 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3408 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3408 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3408 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7738 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7738 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2069 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2069 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1305 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1305 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0842 -1.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0842 -1.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9076 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9076 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7738 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7738 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3938 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3938 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0226 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0226 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4881 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4881 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9724 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9724 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3471 0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3471 0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8147 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8147 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9076 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9076 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6012 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6012 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1819 -0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1819 -0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0051 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0051 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2906 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2906 0.3346 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 34 -6.1232 4.4048 | + | M SBV 1 34 -6.1232 4.4048 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CGS0001 | + | ID FL5F1CGS0001 |
| − | KNApSAcK_ID C00005301 | + | KNApSAcK_ID C00005301 |
| − | NAME Fisetin 7-glucoside | + | NAME Fisetin 7-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c4)(cc(c(O)c4)O)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES c(c4)(cc(c(O)c4)O)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO |
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
-0.5744 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5744 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0181 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0181 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6508 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6508 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7738 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3408 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3408 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7738 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1305 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0842 -1.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9076 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7738 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3938 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0226 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4881 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9724 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8147 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9076 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6012 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 -0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0051 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2906 0.3346 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -6.1232 4.4048
S SKP 8
ID FL5F1CGS0001
KNApSAcK_ID C00005301
NAME Fisetin 7-glucoside
CAS_RN -
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c4)(cc(c(O)c4)O)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO
M END
