Mol:FL3FAEGS0001
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 |
| − | -0.3173 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3173 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3173 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3173 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1337 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1337 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5848 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5848 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5848 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5848 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1337 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1337 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0359 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0359 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4869 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4869 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4869 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4869 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0359 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0359 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2076 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2076 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3975 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3975 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8573 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8573 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8573 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8573 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3975 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3975 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3975 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3975 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7675 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7675 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1337 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1337 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4481 0.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4481 0.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9325 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9325 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1900 -0.3186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1900 -0.3186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4736 -0.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4736 -0.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9942 0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9942 0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6438 -0.1330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6438 -0.1330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1619 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1619 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7363 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7363 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7646 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7646 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4475 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4475 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1619 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1619 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8471 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8471 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8019 1.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8019 1.0663 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 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 -2.8471 0.769 | + | M SVB 2 35 -2.8471 0.769 |
| − | 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 3.4475 0.9888 | + | M SVB 1 33 3.4475 0.9888 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAEGS0001 | + | ID FL3FAEGS0001 |
| − | KNApSAcK_ID C00004357 | + | KNApSAcK_ID C00004357 |
| − | NAME Luteolin 4'-methyl ether 7-glucoside | + | NAME Luteolin 4'-methyl ether 7-glucoside |
| − | CAS_RN 20126-59-4 | + | CAS_RN 20126-59-4 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)=CC2=O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)=CC2=O)CO)O)O |
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
-0.3173 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5848 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5848 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4869 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4869 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2076 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3975 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3975 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3975 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7675 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4481 0.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9325 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1900 -0.3186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4736 -0.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9942 0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6438 -0.1330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1619 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7363 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7646 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4475 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1619 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8471 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8019 1.0663 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
16 18 1 0 0 0 0
1 19 1 0 0 0 0
3 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 19 1 0 0 0 0
15 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 -2.8471 0.769
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 3.4475 0.9888
S SKP 8
ID FL3FAEGS0001
KNApSAcK_ID C00004357
NAME Luteolin 4'-methyl ether 7-glucoside
CAS_RN 20126-59-4
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)=CC2=O)CO)O)O
M END
