Mol:FL3FAAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1523 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1523 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1523 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1523 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0397 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0397 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0397 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0397 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5166 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5166 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0729 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0729 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0729 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0729 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5166 1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5166 1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5166 -0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5166 -0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6290 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6290 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1960 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1960 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7629 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7629 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7629 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7629 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1960 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1960 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6290 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6290 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7084 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7084 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9176 -1.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9176 -1.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.1308 -1.9852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1308 -1.9852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6321 -1.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6321 -1.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0155 -0.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.0155 -0.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7268 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7268 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1179 -1.4300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1179 -1.4300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3298 -2.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3298 -2.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8073 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8073 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9066 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9066 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3298 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3298 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3033 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3033 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3023 -1.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3023 -1.0268 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 |
| − | 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 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 -2.3626 -1.1099 | + | M SVB 1 33 -2.3626 -1.1099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0004 | + | ID FL3FAAGS0004 |
| − | KNApSAcK_ID C00004139 | + | KNApSAcK_ID C00004139 |
| − | NAME Apigenin 5-glucoside | + | NAME Apigenin 5-glucoside |
| − | CAS_RN 28757-27-9 | + | CAS_RN 28757-27-9 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1523 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1523 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0729 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 -0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1960 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9176 -1.6535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1308 -1.9852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6321 -1.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0155 -0.9989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7268 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1179 -1.4300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3298 -2.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8073 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3298 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3033 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3023 -1.0268 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
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
15 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -2.3626 -1.1099
S SKP 8
ID FL3FAAGS0004
KNApSAcK_ID C00004139
NAME Apigenin 5-glucoside
CAS_RN 28757-27-9
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
