Mol:FL3FCEGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7920 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7920 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7920 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7920 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3410 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3410 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8899 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8899 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8899 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8899 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3410 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3410 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4388 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4388 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0122 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0122 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0122 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0122 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4388 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4388 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2671 -1.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2671 -1.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4631 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4631 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9228 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9228 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3826 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3826 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3826 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3826 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9228 0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9228 0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4631 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4631 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7326 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7326 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3410 -1.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3410 -1.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9734 1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.9734 1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.4578 0.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4578 0.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.7153 0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.7153 0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0011 0.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0011 0.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.5195 1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5195 1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1691 1.1166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.1691 1.1166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.6872 0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6872 0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2616 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2616 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2899 0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2899 0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2790 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2790 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9728 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9728 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6872 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6872 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3583 1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3583 1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6286 2.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6286 2.6108 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 |
| − | 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 36 | + | M SBL 3 1 36 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 36 -1.3583 1.927 | + | M SVB 3 36 -1.3583 1.927 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 1.9728 0.5059 | + | M SVB 2 34 1.9728 0.5059 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.1493 -0.0072 | + | M SVB 1 32 -2.1493 -0.0072 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCEGS0001 | + | ID FL3FCEGS0001 |
| − | KNApSAcK_ID C00004373 | + | KNApSAcK_ID C00004373 |
| − | NAME Luteolin 7,4'-dimethyl ether 3'-glucoside | + | NAME Luteolin 7,4'-dimethyl ether 3'-glucoside |
| − | CAS_RN 110559-12-1 | + | CAS_RN 110559-12-1 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)[C@@H]1O | + | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)[C@@H]1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.7920 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0122 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2671 -1.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7326 1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -1.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 1.3229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4578 0.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7153 0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0011 0.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5195 1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1691 1.1166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.6872 0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 0.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2899 0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -1.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2790 -1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3583 1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6286 2.6108 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
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 18 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 CH2OH
M SVB 3 36 -1.3583 1.927
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 1.9728 0.5059
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.1493 -0.0072
S SKP 8
ID FL3FCEGS0001
KNApSAcK_ID C00004373
NAME Luteolin 7,4'-dimethyl ether 3'-glucoside
CAS_RN 110559-12-1
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c23)c(cc(c2)OC)O)=O)OC(CO)[C@@H]1O
M END
