Mol:FL5F1CGS0002
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 |
| − | -3.3121 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3121 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3121 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3121 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7558 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7558 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1995 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1995 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1995 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1995 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7558 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7558 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6432 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6432 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0869 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0869 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0869 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0869 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6432 0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6432 0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6432 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6432 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0362 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0362 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6032 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6032 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6032 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6032 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0362 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0362 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5308 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5308 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8682 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8682 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6535 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6535 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1700 1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1700 1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9666 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9666 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2392 1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2392 1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8107 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8107 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1062 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1062 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5381 1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5381 1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4631 1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4631 1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7720 1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7720 1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5324 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5324 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0362 1.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0362 1.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1537 0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1537 0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8682 0.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8682 0.5866 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 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 -8.3275 3.4355 | + | M SBV 1 34 -8.3275 3.4355 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CGS0002 | + | ID FL5F1CGS0002 |
| − | KNApSAcK_ID C00005302 | + | KNApSAcK_ID C00005302 |
| − | NAME Fisetin 4'-glucoside | + | NAME Fisetin 4'-glucoside |
| − | CAS_RN 95399-27-2 | + | CAS_RN 95399-27-2 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(O)(c1)ccc(C2=O)c1OC(c(c4)cc(O)c(c4)OC(O3)C(O)C(O)C(O)C3CO)=C2O | + | SMILES c(O)(c1)ccc(C2=O)c1OC(c(c4)cc(O)c(c4)OC(O3)C(O)C(O)C(O)C3CO)=C2O |
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
-3.3121 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3121 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7558 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1995 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1995 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7558 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0362 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0362 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8682 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6535 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9666 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2392 1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8107 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1062 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7720 1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5324 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0362 1.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1537 0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8682 0.5866 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
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 15 1 0 0 0 0
16 30 1 0 0 0 0
24 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 -8.3275 3.4355
S SKP 8
ID FL5F1CGS0002
KNApSAcK_ID C00005302
NAME Fisetin 4'-glucoside
CAS_RN 95399-27-2
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(O)(c1)ccc(C2=O)c1OC(c(c4)cc(O)c(c4)OC(O3)C(O)C(O)C(O)C3CO)=C2O
M END
