Mol:FL3FEAGS0043
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 |
| − | 3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8707 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8707 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -3.3531 1.4042 | + | M SVB 2 33 -3.3531 1.4042 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 4.1563 1.5012 | + | M SVB 1 35 4.1563 1.5012 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0043 | + | ID FL3FEAGS0043 |
| − | KNApSAcK_ID C00010278 | + | KNApSAcK_ID C00010278 |
| − | NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin | + | NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin |
| − | CAS_RN 35536-70-0 | + | CAS_RN 35536-70-0 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 | + | SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 |
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
3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8707 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
11 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
14 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
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
20 24 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
3 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 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -3.3531 1.4042
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 4.1563 1.5012
S SKP 8
ID FL3FEAGS0043
KNApSAcK_ID C00010278
NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin
CAS_RN 35536-70-0
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
