Mol:FL2FABGS0002
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 |
| − | -1.7611 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7611 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7611 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7611 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2048 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2048 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6485 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6485 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6485 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6485 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2048 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2048 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0922 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0922 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4641 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4641 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4641 0.5976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4641 0.5976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0922 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0922 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5872 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5872 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5872 1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5872 1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0202 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0202 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0922 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0922 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3174 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3174 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2048 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2048 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0729 -1.1753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.0729 -1.1753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7288 -1.6295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7288 -1.6295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2333 -1.4368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2333 -1.4368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7552 -1.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7552 -1.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1026 -1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1026 -1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6088 -1.2659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6088 -1.2659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5154 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5154 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0537 -2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0537 -2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9494 -1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9494 -1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7432 1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7432 1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4577 1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4577 1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7877 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7877 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7554 -0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7554 -0.3642 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 14 29 1 0 0 0 0 | + | 14 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 -2.7877 -0.6163 | + | M SVB 2 34 -2.7877 -0.6163 |
| − | 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 2.7432 1.9134 | + | M SVB 1 32 2.7432 1.9134 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABGS0002 | + | ID FL2FABGS0002 |
| − | KNApSAcK_ID C00008220 | + | KNApSAcK_ID C00008220 |
| − | NAME Isosakuranetin 5-O-glucoside | + | NAME Isosakuranetin 5-O-glucoside |
| − | CAS_RN 70863-90-0 | + | CAS_RN 70863-90-0 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES c(c1C(O4)CC(=O)c(c34)c(cc(c3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc(OC)cc1 | + | SMILES c(c1C(O4)CC(=O)c(c34)c(cc(c3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc(OC)cc1 |
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
-1.7611 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7611 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6485 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6485 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0922 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 0.5976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0922 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5872 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5872 1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0922 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3174 0.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 -1.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 -1.1753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7288 -1.6295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2333 -1.4368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7552 -1.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1026 -1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6088 -1.2659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5154 -1.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0537 -2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9494 -1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7432 1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4577 1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7877 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7554 -0.3642 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 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
14 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 -2.7877 -0.6163
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 2.7432 1.9134
S SKP 8
ID FL2FABGS0002
KNApSAcK_ID C00008220
NAME Isosakuranetin 5-O-glucoside
CAS_RN 70863-90-0
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES c(c1C(O4)CC(=O)c(c34)c(cc(c3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc(OC)cc1
M END
