Mol:FL3FACGS0017
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 |
| − | -3.5496 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5496 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5496 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5496 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0985 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0985 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6474 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6474 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6474 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6474 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0985 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0985 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1964 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1964 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7453 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7453 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7453 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7453 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1964 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1964 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1964 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1964 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2944 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2944 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8347 -0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8347 -0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3750 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3750 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3750 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3750 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8347 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8347 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2944 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2944 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0691 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0691 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0985 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0985 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0847 0.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0847 0.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8325 1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8325 1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7346 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7346 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3470 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3470 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0924 0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0924 0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8424 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8424 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2301 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2301 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4846 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4846 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0147 0.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0147 0.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7916 1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7916 1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7895 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7895 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3546 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3546 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0691 0.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0691 0.1325 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 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 |
| − | 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 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 -4.8853 3.2789 | + | M SBV 1 34 -4.8853 3.2789 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0017 | + | ID FL3FACGS0017 |
| − | KNApSAcK_ID C00004276 | + | KNApSAcK_ID C00004276 |
| − | NAME Luteolin 4'-glucoside | + | NAME Luteolin 4'-glucoside |
| − | CAS_RN 6920-38-3 | + | CAS_RN 6920-38-3 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(c2)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(c2)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
-3.5496 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5496 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7453 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7453 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2944 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8347 -0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8347 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2944 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0691 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0847 0.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8325 1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7346 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3470 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0924 0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8424 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2301 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4846 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0147 0.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7916 1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7895 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3546 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0691 0.1325 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
25 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 -4.8853 3.2789
S SKP 8
ID FL3FACGS0017
KNApSAcK_ID C00004276
NAME Luteolin 4'-glucoside
CAS_RN 6920-38-3
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(c2)OC(O1)C(O)C(O)C(O)C1CO
M END
