Mol:FL3FEAGS0026
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 |
| − | -0.3964 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3964 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3964 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3964 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0546 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0546 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5057 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5057 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5057 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5057 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0546 0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0546 0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9568 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9568 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4078 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4078 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4078 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4078 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9568 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9568 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1285 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1285 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8587 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8587 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3184 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3184 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7782 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7782 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7782 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7782 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3184 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3184 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8587 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8587 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0159 -0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0159 -0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9577 -0.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9577 -0.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5360 -0.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5360 -0.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0632 -1.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0632 -1.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3823 -1.1602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3823 -1.1602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7254 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7254 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2028 -0.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2028 -0.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7984 -0.9900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7984 -0.9900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0783 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0783 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1906 -1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1906 -1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8003 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8003 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9922 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9922 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3869 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3869 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7771 1.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7771 1.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2908 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2908 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4761 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4761 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1906 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1906 1.4026 0.0000 C 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 3 1 0 0 0 0 | + | 18 3 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 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 |
| − | 15 33 1 0 0 0 0 | + | 15 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 26 30 | + | M SAL 3 2 26 30 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 27 -3.0443 -0.4604 | + | M SVB 3 27 -3.0443 -0.4604 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 3.4761 1.8151 | + | M SVB 2 36 3.4761 1.8151 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -0.7771 1.3619 | + | M SVB 1 34 -0.7771 1.3619 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0026 | + | ID FL3FEAGS0026 |
| − | KNApSAcK_ID C00004242 | + | KNApSAcK_ID C00004242 |
| − | NAME Scutellarein 7,4'-dimethyl ether 6-glucoside | + | NAME Scutellarein 7,4'-dimethyl ether 6-glucoside |
| − | CAS_RN 57498-69-8 | + | CAS_RN 57498-69-8 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(c1C(=C4)Oc(c(C(=O)4)2)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)cc(OC)cc1 | + | SMILES c(c1C(=C4)Oc(c(C(=O)4)2)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)cc(OC)cc1 |
M END | M END | ||
| − | |||
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
-0.3964 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3964 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1285 -0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 1.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -0.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9577 -0.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -0.8008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0632 -1.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3823 -1.1602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7254 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2028 -0.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7984 -0.9900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0783 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1906 -1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8003 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9922 -1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3869 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7771 1.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4761 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1906 1.4026 0.0000 C 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 3 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
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
30 26 1 0 0 0 0
23 19 1 0 0 0 0
2 19 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
15 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 26 30
M SBL 3 1 27
M SMT 3 CH2OH
M SVB 3 27 -3.0443 -0.4604
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 3.4761 1.8151
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -0.7771 1.3619
S SKP 8
ID FL3FEAGS0026
KNApSAcK_ID C00004242
NAME Scutellarein 7,4'-dimethyl ether 6-glucoside
CAS_RN 57498-69-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(c1C(=C4)Oc(c(C(=O)4)2)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c2O)OC)cc(OC)cc1
M END
