Mol:FL2FACGS0012
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 |
| − | -1.2447 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2447 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5320 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5320 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2415 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2415 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5247 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5247 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1879 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1879 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1843 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1843 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9042 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9042 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6168 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6168 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6132 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6132 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8969 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8969 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2670 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2670 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9830 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9830 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6959 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6959 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6927 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6927 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9766 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9766 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2638 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9053 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9053 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8701 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8701 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5247 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5247 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3486 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3486 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3265 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3265 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8654 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8654 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4528 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4528 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6544 -0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6544 -0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8610 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8610 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2735 -0.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2735 -0.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0719 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0719 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2289 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2289 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7087 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7087 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3486 -0.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3486 -0.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9015 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9015 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8259 -1.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8259 -1.6084 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 1 0 0 0 | + | 9 11 1 1 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 3 1 0 0 0 0 | + | 25 3 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACGS0012 | + | ID FL2FACGS0012 |
| − | KNApSAcK_ID C00014333 | + | KNApSAcK_ID C00014333 |
| − | NAME (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside | + | NAME (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside |
| − | CAS_RN 308850-46-6 | + | CAS_RN 308850-46-6 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O | + | SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)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/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2447 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5320 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2415 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5247 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1879 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6132 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8969 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6927 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9766 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5247 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3486 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3265 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4528 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 -0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 -1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 -0.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0719 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2289 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7087 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3486 -0.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9015 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8259 -1.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 1 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
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
13 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 3 1 0 0 0 0
S SKP 8
ID FL2FACGS0012
KNApSAcK_ID C00014333
NAME (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
CAS_RN 308850-46-6
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c1)c(C(C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O
M END
