Mol:FL3FADGS0001
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 |
| − | -0.4757 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4757 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4757 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4757 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4264 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4264 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4264 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4264 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8775 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8775 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3285 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3285 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3285 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3285 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8775 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8775 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0492 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0492 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7794 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7794 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2391 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2391 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6989 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6989 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6989 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6989 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2391 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2391 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7794 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7794 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6989 1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6989 1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9258 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9258 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5753 -1.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.5753 -1.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0597 -1.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0597 -1.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3172 -1.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3172 -1.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6007 -1.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6007 -1.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 -0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 -0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7709 -1.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7709 -1.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2891 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2891 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8635 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8635 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8917 -2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8917 -2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4690 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4690 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8575 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8575 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9613 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9613 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9068 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9068 0.0420 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -1.9613 -0.2837 | + | M SVB 2 35 -1.9613 -0.2837 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 2.469 2.1635 | + | M SVB 1 33 2.469 2.1635 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADGS0001 | + | ID FL3FADGS0001 |
| − | KNApSAcK_ID C00004335 | + | KNApSAcK_ID C00004335 |
| − | NAME Luteolin 3'-methyl ether 5-glucoside | + | NAME Luteolin 3'-methyl ether 5-glucoside |
| − | CAS_RN 74336-86-0 | + | CAS_RN 74336-86-0 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c4O)(cc(cc4)C(O3)=CC(=O)c(c23)c(cc(c2)O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC | + | SMILES c(c4O)(cc(cc4)C(O3)=CC(=O)c(c23)c(cc(c2)O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC |
M END | M END | ||
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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
-0.4757 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4757 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0492 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6989 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6989 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6989 1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9258 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5753 -1.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0597 -1.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3172 -1.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6007 -1.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1213 -0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7709 -1.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2891 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8635 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8917 -2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8575 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9068 0.0420 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 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 18 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -1.9613 -0.2837
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.469 2.1635
S SKP 8
ID FL3FADGS0001
KNApSAcK_ID C00004335
NAME Luteolin 3'-methyl ether 5-glucoside
CAS_RN 74336-86-0
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4O)(cc(cc4)C(O3)=CC(=O)c(c23)c(cc(c2)O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC
M END
