Mol:FL3FECGS0030
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4188 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4188 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4188 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4188 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0323 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0323 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4833 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4833 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4833 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4833 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0323 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0323 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9344 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9344 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3855 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3855 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3855 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3855 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9344 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9344 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1061 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1061 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8364 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8364 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2961 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2961 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7558 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7558 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7558 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7558 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2961 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2961 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8364 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8364 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2961 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2961 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0323 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0323 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8716 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8716 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3821 0.1725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3821 0.1725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8665 -0.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8665 -0.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1240 -0.2194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1240 -0.2194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4075 -0.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4075 -0.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9282 0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9282 0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6866 0.0367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6866 0.0367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9586 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9586 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6703 -0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6703 -0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1240 -0.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1240 -0.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2442 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2442 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9586 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9586 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4247 -1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4247 -1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7667 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7667 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2957 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2957 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7083 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7083 1.3580 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 |
| − | 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 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 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 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 37 -2.9822 0.8441 | + | M SVB 3 37 -2.9822 0.8441 |
| − | 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 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 -1.1333 -0.5685 | + | M SVB 2 35 -1.1333 -0.5685 |
| − | 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 3.2442 0.7153 | + | M SVB 1 33 3.2442 0.7153 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0030 | + | ID FL3FECGS0030 |
| − | KNApSAcK_ID C00004413 | + | KNApSAcK_ID C00004413 |
| − | NAME 6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside | + | NAME 6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside |
| − | CAS_RN 67557-77-1 | + | CAS_RN 67557-77-1 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)ccc(c1O)OC)=O)O | + | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)ccc(c1O)OC)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.4188 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4188 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0323 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4833 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4833 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0323 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9344 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3855 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3855 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9344 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1061 -1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8364 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7558 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7558 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8364 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0323 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3821 0.1725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8665 -0.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1240 -0.2194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4075 -0.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9282 0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6866 0.0367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9586 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6703 -0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1240 -0.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9586 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4247 -1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7667 -2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2957 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7083 1.3580 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
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
24 20 1 0 0 0 0
23 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 -2.9822 0.8441
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -1.1333 -0.5685
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 3.2442 0.7153
S SKP 8
ID FL3FECGS0030
KNApSAcK_ID C00004413
NAME 6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside
CAS_RN 67557-77-1
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(c2c3)C(C=C(O2)c(c1)ccc(c1O)OC)=O)O
M END
