Mol:FL5FECGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1925 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1925 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6362 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6362 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0799 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0799 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0799 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0799 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6362 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6362 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4764 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4764 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0327 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0327 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0327 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0327 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4764 0.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4764 0.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4764 -1.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4764 -1.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5888 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1557 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1557 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7227 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7227 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7227 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7227 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1557 1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1557 1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5888 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5888 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7486 0.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7486 0.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4268 -0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4268 -0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6362 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6362 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1557 2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1557 2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2895 1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2895 1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8122 -1.4655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8122 -1.4655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3853 -2.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3853 -2.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7705 -1.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7705 -1.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1772 -1.7835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1772 -1.7835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6083 -1.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6083 -1.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2363 -1.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2363 -1.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3611 -1.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3611 -1.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0508 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0508 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4182 -2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4182 -2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5239 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5239 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5108 -0.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5108 -0.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8803 -0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8803 -0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6556 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6556 0.2775 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 2 34 1 0 0 0 0 | + | 2 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -2.5239 -0.8175 | + | M SVB 2 35 -2.5239 -0.8175 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 -1.907 -0.1272 | + | M SVB 1 37 -1.907 -0.1272 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0008 | + | ID FL5FECGS0008 |
| − | KNApSAcK_ID C00005642 | + | KNApSAcK_ID C00005642 |
| − | NAME Patuletin 5-glucoside | + | NAME Patuletin 5-glucoside |
| − | CAS_RN 83086-28-6 | + | CAS_RN 83086-28-6 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES COc(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)1)c(cc(O2)c1C(C(O)=C2c(c3)ccc(c3O)O)=O)O | + | SMILES COc(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)1)c(cc(O2)c1C(C(O)=C2c(c3)ccc(c3O)O)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.1925 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4764 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0327 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0327 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4764 0.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4764 -1.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1557 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7227 0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7227 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1557 1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 0.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 -0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1557 2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2895 1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8122 -1.4655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3853 -2.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7705 -1.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1772 -1.7835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6083 -1.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 -1.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3611 -1.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0508 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4182 -2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5108 -0.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 -0.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 0.2775 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 20 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
2 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.5239 -0.8175
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 -1.907 -0.1272
S SKP 8
ID FL5FECGS0008
KNApSAcK_ID C00005642
NAME Patuletin 5-glucoside
CAS_RN 83086-28-6
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES COc(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)1)c(cc(O2)c1C(C(O)=C2c(c3)ccc(c3O)O)=O)O
M END
