Mol:FL3FBCGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.0762 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0762 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0762 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0762 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7906 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7906 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5051 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5051 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5051 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5051 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7906 2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7906 2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3528 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3528 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0673 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0673 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0673 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0673 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3528 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3528 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7817 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7817 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4962 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4962 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4962 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4962 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7817 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7817 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3528 -1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3528 -1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2107 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2107 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7817 -1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7817 -1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2107 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2107 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0796 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0796 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0915 -1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0915 -1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8507 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8507 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3627 -1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3627 -1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1329 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1329 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3736 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3736 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8616 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8616 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3841 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3841 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8342 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8342 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9960 -2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9960 -2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3366 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3366 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6104 -1.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6104 -1.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4268 -1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4268 -1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FBCGS0003 | + | ID FL3FBCGS0003 |
| − | KNApSAcK_ID C00013673 | + | KNApSAcK_ID C00013673 |
| − | NAME Luteorin 5-methyl ether 3'-glucoside | + | NAME Luteorin 5-methyl ether 3'-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)cc(cc3)C(O1)=CC(c(c2OC)c(cc(c2)O)1)=O | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)cc(cc3)C(O1)=CC(c(c2OC)c(cc(c2)O)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
1.0762 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0762 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7906 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5051 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5051 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7906 2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0673 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0673 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3528 -1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2107 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2107 2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0796 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 -1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8507 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 -1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1329 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8616 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3841 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8342 -0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9960 -2.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3366 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 -1.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 -1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 21 1 0 0 0 0
19 33 1 0 0 0 0
S SKP 8
ID FL3FBCGS0003
KNApSAcK_ID C00013673
NAME Luteorin 5-methyl ether 3'-glucoside
CAS_RN -
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)cc(cc3)C(O1)=CC(c(c2OC)c(cc(c2)O)1)=O
M END
