Mol:FL4DACGS0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5720 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5720 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0511 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0511 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5302 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5302 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5302 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5302 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0511 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0511 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5720 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5720 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0093 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0093 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4884 -0.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4884 -0.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4884 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.4884 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0093 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0093 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0093 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0093 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9087 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9087 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3800 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3800 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1487 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1487 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1487 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1487 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3800 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3800 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9087 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9087 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0227 0.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0227 0.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0202 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0202 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0511 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0511 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7060 0.6253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7060 0.6253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4052 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4052 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9837 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9837 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5657 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5657 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8665 0.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8665 0.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2880 0.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2880 0.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1473 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1473 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3295 0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8084 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8084 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7260 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7260 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4209 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4209 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3995 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3995 -1.4139 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 31 14 1 0 0 0 0 | + | 31 14 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 3.3082 0.1927 | + | M SVB 1 35 3.3082 0.1927 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACGS0019 | + | ID FL4DACGS0019 |
| − | KNApSAcK_ID C00008711 | + | KNApSAcK_ID C00008711 |
| − | NAME Taxifolin 3'-glucoside | + | NAME Taxifolin 3'-glucoside |
| − | CAS_RN 31106-05-5 | + | CAS_RN 31106-05-5 |
| − | FORMULA C21H22O12 | + | FORMULA C21H22O12 |
| − | EXACTMASS 466.111126168 | + | EXACTMASS 466.111126168 |
| − | AVERAGEMASS 466.39218 | + | AVERAGEMASS 466.39218 |
| − | SMILES c(c(O)4)(cc(cc4)[C@H]([C@H]3O)Oc(c2)c(C3=O)c(cc(O)2)O)O[C@H](O1)C(O)C(O)[C@@H](O)[C@H]1CO | + | SMILES c(c(O)4)(cc(cc4)[C@H]([C@H]3O)Oc(c2)c(C3=O)c(cc(O)2)O)O[C@H](O1)C(O)C(O)[C@@H](O)[C@H]1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.5720 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0511 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5302 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5302 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0511 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5720 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0093 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4884 -0.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4884 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0093 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0093 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0227 0.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0511 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7060 0.6253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4052 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9837 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5657 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8665 0.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2880 0.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1473 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8084 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4209 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3995 -1.4139 0.0000 O 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 31 1 0 0 0 0
31 14 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 3.3082 0.1927
S SKP 8
ID FL4DACGS0019
KNApSAcK_ID C00008711
NAME Taxifolin 3'-glucoside
CAS_RN 31106-05-5
FORMULA C21H22O12
EXACTMASS 466.111126168
AVERAGEMASS 466.39218
SMILES c(c(O)4)(cc(cc4)[C@H]([C@H]3O)Oc(c2)c(C3=O)c(cc(O)2)O)O[C@H](O1)C(O)C(O)[C@@H](O)[C@H]1CO
M END
