Mol:FL2FACGS0003
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 |
| − | -1.2940 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2940 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2940 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2940 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7377 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7377 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1814 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1814 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1814 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1814 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7377 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7377 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3749 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3749 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9312 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9312 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9312 0.2581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9312 0.2581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3749 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3749 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4873 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4873 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0543 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0543 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6212 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6212 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6212 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6212 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0543 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0543 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4873 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4873 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3749 -1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3749 -1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1881 1.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1881 1.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8501 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8501 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0543 2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0543 2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7377 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7377 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8009 -1.5368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8009 -1.5368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.4547 -1.9939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4547 -1.9939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9561 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9561 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4364 -1.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4364 -1.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8246 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8246 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3339 -1.6280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3339 -1.6280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2461 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2461 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7816 -2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7816 -2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6704 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6704 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6035 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6035 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5893 -0.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5893 -0.7332 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 21 1 0 0 0 0 | + | 25 21 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 |
| − | 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -2.6035 -0.9009 | + | M SVB 1 34 -2.6035 -0.9009 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACGS0003 | + | ID FL2FACGS0003 |
| − | KNApSAcK_ID C00008290 | + | KNApSAcK_ID C00008290 |
| − | NAME Eriodictyol 5-O-glucoside | + | NAME Eriodictyol 5-O-glucoside |
| − | CAS_RN 103617-12-5 | + | CAS_RN 103617-12-5 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO |
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
-1.2940 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1814 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1814 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3749 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9312 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9312 0.2581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3749 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0543 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6212 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6212 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0543 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3749 -1.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1881 1.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8501 0.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0543 2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8009 -1.5368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4547 -1.9939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9561 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4364 -1.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8246 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3339 -1.6280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2461 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 -2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6035 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5893 -0.7332 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 1 0 0 0 0
3 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 21 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.6035 -0.9009
S SKP 8
ID FL2FACGS0003
KNApSAcK_ID C00008290
NAME Eriodictyol 5-O-glucoside
CAS_RN 103617-12-5
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES [C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
