Mol:FL3FCDGS0003
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 |
| − | -3.7029 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7029 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7029 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7029 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8008 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8008 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8008 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8008 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2518 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2518 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3497 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3497 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8986 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8986 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8986 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8986 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3497 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3497 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4477 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4477 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9880 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9880 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5283 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5283 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5283 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5283 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9880 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9880 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4477 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4477 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2518 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2518 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7257 1.1975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7257 1.1975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.3380 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.3380 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0835 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0835 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8335 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8335 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2212 1.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2212 1.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4757 0.9845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4757 0.9845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0057 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0057 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7826 1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7826 1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7806 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7806 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7582 1.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7582 1.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3698 2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3698 2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0601 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0601 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5601 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5601 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3457 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3457 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0601 0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0601 0.1403 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 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 3.3457 0.5528 | + | M SVB 3 36 3.3457 0.5528 |
| − | 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 -4.0601 0.4036 | + | M SVB 2 34 -4.0601 0.4036 |
| − | 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 -0.7582 1.3866 | + | M SVB 1 32 -0.7582 1.3866 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCDGS0003 | + | ID FL3FCDGS0003 |
| − | KNApSAcK_ID C00004371 | + | KNApSAcK_ID C00004371 |
| − | NAME Luteolin 7,3'-dimethyl ether 4'-glucoside | + | NAME Luteolin 7,3'-dimethyl ether 4'-glucoside |
| − | CAS_RN 30271-21-7 | + | CAS_RN 30271-21-7 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c12)c(cc(c1)OC)O)=O)OC | + | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c12)c(cc(c1)OC)O)=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/
34 37 0 0 0 0 0 0 0 0999 V2000
-3.7029 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7029 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8008 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8008 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2518 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3497 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8986 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8986 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3497 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9880 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5283 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5283 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9880 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2518 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 1.1975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3380 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0835 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8335 0.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2212 1.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4757 0.9845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0057 1.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7826 1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7806 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7582 1.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0601 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5601 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0601 0.1403 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
18 21 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
23 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 3.3457 0.5528
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 -4.0601 0.4036
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 -0.7582 1.3866
S SKP 8
ID FL3FCDGS0003
KNApSAcK_ID C00004371
NAME Luteolin 7,3'-dimethyl ether 4'-glucoside
CAS_RN 30271-21-7
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(cc(c3)C(O2)=CC(c(c12)c(cc(c1)OC)O)=O)OC
M END
