Mol:FL3FAHGS0001
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 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0136 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0136 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0136 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0136 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4647 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4647 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9158 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9158 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9158 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9158 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4647 -0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4647 -0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3668 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3668 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8179 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8179 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8179 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8179 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3668 -0.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3668 -0.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5385 -1.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5385 -1.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2688 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2688 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7285 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7285 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1882 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1882 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1882 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1882 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7285 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7285 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2688 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2688 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4647 -1.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4647 -1.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0542 0.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0542 0.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6479 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6479 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6852 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6852 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0071 1.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.0071 1.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9009 0.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9009 0.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1135 0.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1135 0.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4892 -0.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4892 -0.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 0.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 0.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4727 0.7585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4727 0.7585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6728 1.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6728 1.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6166 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6166 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1022 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1022 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1342 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1342 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9208 1.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9208 1.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9583 1.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9583 1.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3468 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3468 2.0053 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 -2.6221 1.2356 | + | M SVB 2 34 -2.6221 1.2356 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 2.9583 1.0838 | + | M SVB 1 36 2.9583 1.0838 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAHGS0001 | + | ID FL3FAHGS0001 |
| − | KNApSAcK_ID C00004458 | + | KNApSAcK_ID C00004458 |
| − | NAME Tricetin 3'-methyl ether 7-glucoside | + | NAME Tricetin 3'-methyl ether 7-glucoside |
| − | CAS_RN 73413-70-4 | + | CAS_RN 73413-70-4 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(OC)c(c3O)O)=CC2=O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(OC)c(c3O)O)=CC2=O)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.0136 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0136 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4647 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4647 -0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3668 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8179 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8179 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3668 -0.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5385 -1.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7285 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1882 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1882 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7285 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4647 -1.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0542 0.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6479 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0071 1.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9009 0.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1135 0.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4892 -0.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6797 0.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4727 0.7585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6728 1.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6166 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1342 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9208 1.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9583 1.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3468 2.0053 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
21 1 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
16 33 1 0 0 0 0
33 34 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 -2.6221 1.2356
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 2.9583 1.0838
S SKP 8
ID FL3FAHGS0001
KNApSAcK_ID C00004458
NAME Tricetin 3'-methyl ether 7-glucoside
CAS_RN 73413-70-4
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(OC)c(c3O)O)=CC2=O)CO)O)O
M END
