Mol:FL3FACGS0014
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 |
| − | -1.5574 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5574 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5574 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5574 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1063 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1063 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6552 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6552 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6552 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6552 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1063 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1063 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2042 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2042 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2469 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2469 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2469 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2469 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2042 -1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2042 -1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0326 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0326 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6978 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6978 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1575 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1575 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6172 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6172 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6172 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6172 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1575 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1575 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6978 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6978 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0769 -1.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0769 -1.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1063 -2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1063 -2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0769 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0769 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7123 2.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7123 2.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2266 1.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2266 1.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.5667 1.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5667 1.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.5667 0.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5667 0.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0525 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0525 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7123 1.6540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7123 1.6540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9337 2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9337 2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2266 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2266 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1952 0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1952 0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1597 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1597 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5092 1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5092 1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0092 2.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 2.5200 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 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 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 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 SVB 1 34 1.5092 1.654 | + | M SVB 1 34 1.5092 1.654 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0014 | + | ID FL3FACGS0014 |
| − | KNApSAcK_ID C00004273 | + | KNApSAcK_ID C00004273 |
| − | NAME Luteolin 3'-glucoside | + | NAME Luteolin 3'-glucoside |
| − | CAS_RN 5154-41-6 | + | CAS_RN 5154-41-6 |
| − | 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(c(O)c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO | + | SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](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
-1.5574 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6552 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6552 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2042 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2042 -1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0326 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6978 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6172 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6172 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6978 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 -1.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 -2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7123 2.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2266 1.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5667 1.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5667 0.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0525 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7123 1.6540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9337 2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2266 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1952 0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1597 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 2.5200 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
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 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
16 30 1 0 0 0 0
26 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 SVB 1 34 1.5092 1.654
S SKP 8
ID FL3FACGS0014
KNApSAcK_ID C00004273
NAME Luteolin 3'-glucoside
CAS_RN 5154-41-6
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(c(O)c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO
M END
