Mol:FL1C3CGS0019
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3290 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3290 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3290 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3290 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7750 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7750 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2210 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2210 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2210 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2210 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7750 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7750 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3327 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3327 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8852 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8852 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4366 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4366 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9867 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9867 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5251 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5251 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0635 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0635 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0635 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0635 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5251 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5251 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9867 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9867 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3327 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3327 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7750 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7750 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8827 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8827 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8139 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8139 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9291 0.5904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.9291 0.5904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.5828 0.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5828 0.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.0842 0.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0842 0.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5646 0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5646 0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.9527 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9527 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4620 0.4992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.4620 0.4992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.3742 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3742 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9097 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9097 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7985 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7985 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7956 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7956 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4392 0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4392 0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1869 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1869 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6017 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6017 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3162 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3162 0.3666 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 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 |
| − | 13 33 1 0 0 0 0 | + | 13 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 33 | + | M SBL 3 1 33 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 33 -3.5091 0.8977 | + | M SVB 3 33 -3.5091 0.8977 |
| − | 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 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 3.6017 0.7791 | + | M SVB 2 35 3.6017 0.7791 |
| − | 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 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 3.2445 -0.3596 | + | M SVB 1 31 3.2445 -0.3596 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0019 | + | ID FL1C3CGS0019 |
| − | KNApSAcK_ID C00007910 | + | KNApSAcK_ID C00007910 |
| − | NAME Okanin 3,4-dimethyl ehter 4'-glucoside | + | NAME Okanin 3,4-dimethyl ehter 4'-glucoside |
| − | CAS_RN 94285-17-3 | + | CAS_RN 94285-17-3 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES O(C)c(c1)c(ccc(C=CC(=O)c(c2)c(c(O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c2)O)1)OC | + | SMILES O(C)c(c1)c(ccc(C=CC(=O)c(c2)c(c(O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c2)O)1)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 36 0 0 0 0 0 0 0 0999 V2000
-1.3290 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2210 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2210 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3327 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4366 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9867 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9867 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3327 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8139 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9291 0.5904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5828 0.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0842 0.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5646 0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9527 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4620 0.4992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.3742 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9097 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7985 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7956 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4392 0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1869 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6017 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3162 0.3666 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
19 2 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 18 1 0 0 0 0
12 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
13 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 31 32
M SBL 3 1 33
M SMT 3 CH2OH
M SVB 3 33 -3.5091 0.8977
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 3.6017 0.7791
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 3.2445 -0.3596
S SKP 8
ID FL1C3CGS0019
KNApSAcK_ID C00007910
NAME Okanin 3,4-dimethyl ehter 4'-glucoside
CAS_RN 94285-17-3
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES O(C)c(c1)c(ccc(C=CC(=O)c(c2)c(c(O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c2)O)1)OC
M END
