Mol:FL3FF9GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6004 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6004 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6004 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6004 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5122 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5122 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5122 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5122 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0685 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0685 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6248 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6248 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6248 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6248 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0685 1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0685 1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0685 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0685 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1809 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1809 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7479 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7479 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3148 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3148 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3148 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3148 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7479 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7479 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1809 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1809 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1565 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1565 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -0.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -0.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6010 -0.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.6010 -0.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0854 -1.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0854 -1.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3429 -1.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3429 -1.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6265 -1.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.6265 -1.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7967 -1.1916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.7967 -1.1916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3148 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3148 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8892 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8892 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9175 -2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9175 -2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2634 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2634 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7255 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7255 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7187 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7187 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1313 -0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1313 -0.0454 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 34 -1.9805 -0.7932 | + | M SVB 2 34 -1.9805 -0.7932 |
| − | 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 0.2634 1.6996 | + | M SVB 1 32 0.2634 1.6996 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9GS0003 | + | ID FL3FF9GS0003 |
| − | KNApSAcK_ID C00004129 | + | KNApSAcK_ID C00004129 |
| − | NAME Wogonin 5-glucoside | + | NAME Wogonin 5-glucoside |
| − | CAS_RN 80366-14-9 | + | CAS_RN 80366-14-9 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES [C@@H](Oc(c24)cc(c(c2OC(=CC(=O)4)c(c3)cccc3)OC)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES [C@@H](Oc(c24)cc(c(c2OC(=CC(=O)4)c(c3)cccc3)OC)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.6004 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6004 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1565 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -0.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0854 -1.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3429 -1.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6265 -1.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1471 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7967 -1.1916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3148 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8892 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9175 -2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 -0.0454 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
1 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 19 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SVB 2 34 -1.9805 -0.7932
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 0.2634 1.6996
S SKP 8
ID FL3FF9GS0003
KNApSAcK_ID C00004129
NAME Wogonin 5-glucoside
CAS_RN 80366-14-9
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES [C@@H](Oc(c24)cc(c(c2OC(=CC(=O)4)c(c3)cccc3)OC)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
