Mol:FL3FACGS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.7883 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7883 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7883 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7883 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3372 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3372 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1139 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1139 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1139 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1139 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3372 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3372 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5649 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5649 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0160 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0160 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0160 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0160 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5649 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5649 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5649 -0.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5649 -0.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4669 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4669 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9266 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9266 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3863 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3863 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3863 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3863 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9266 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9266 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4669 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4669 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3077 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3077 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3372 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3372 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5578 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5578 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0422 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2997 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2997 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 -1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 -1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1038 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1038 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7534 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7534 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3975 -0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3975 -0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8460 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8460 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8742 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8742 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9266 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9266 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8460 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8460 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4230 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4230 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7085 -1.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7085 -1.0038 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 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 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 -5.3582 6.9162 | + | M SBV 1 34 -5.3582 6.9162 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0003 | + | ID FL3FACGS0003 |
| − | KNApSAcK_ID C00004262 | + | KNApSAcK_ID C00004262 |
| − | NAME Luteolin 5-galactoside | + | NAME Luteolin 5-galactoside |
| − | CAS_RN 64662-18-6 | + | CAS_RN 64662-18-6 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO |
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
-0.7883 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1139 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1139 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5649 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5649 0.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5649 -0.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9266 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3863 0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3863 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9266 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3077 0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3372 -0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 -1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2997 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1038 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7534 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3975 -0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8460 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9266 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8460 1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4230 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 -1.0038 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
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
16 29 1 0 0 0 0
15 30 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 -5.3582 6.9162
S SKP 8
ID FL3FACGS0003
KNApSAcK_ID C00004262
NAME Luteolin 5-galactoside
CAS_RN 64662-18-6
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
