Mol:FL5FAEGS0002
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 |
| − | -0.9730 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9730 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9730 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9730 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4167 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4167 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1396 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1396 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1396 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1396 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4167 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4167 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6959 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6959 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2522 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2522 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2522 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2522 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6959 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6959 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6959 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6959 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8083 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8083 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3752 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3752 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9422 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9422 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9422 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9422 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3752 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3752 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8083 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8083 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5291 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5291 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4167 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4167 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8083 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8083 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3752 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3752 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6686 0.0273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6686 0.0273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.2975 -0.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.2975 -0.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7630 -0.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7630 -0.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2472 -0.2492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2472 -0.2492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6220 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6220 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0896 -0.1212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0896 -0.1212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.2596 0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2596 0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6479 -0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6479 -0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4567 -0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4567 -0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4680 1.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4680 1.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1825 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1825 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2888 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2888 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2442 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2442 1.0490 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 -3.2888 0.7537 | + | M SVB 2 36 -3.2888 0.7537 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 3.468 1.2392 | + | M SVB 1 34 3.468 1.2392 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAEGS0002 | + | ID FL5FAEGS0002 |
| − | KNApSAcK_ID C00005593 | + | KNApSAcK_ID C00005593 |
| − | NAME Tamarixetin 7-glucoside | + | NAME Tamarixetin 7-glucoside |
| − | CAS_RN 16290-09-8 | + | CAS_RN 16290-09-8 |
| − | 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(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(c(OC)c2)O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(c(OC)c2)O)CO)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.9730 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1396 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1396 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2522 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5291 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6686 0.0273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2975 -0.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7630 -0.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2472 -0.2492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6220 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0896 -0.1212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2596 0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6479 -0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4567 -0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4680 1.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1825 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2888 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2442 1.0490 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
8 20 1 0 0 0 0
16 21 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 18 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
27 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 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 -3.2888 0.7537
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 3.468 1.2392
S SKP 8
ID FL5FAEGS0002
KNApSAcK_ID C00005593
NAME Tamarixetin 7-glucoside
CAS_RN 16290-09-8
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(c(OC)c2)O)CO)O)O
M END
