Mol:FL4DAACS0002
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 |
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| − | 1.0770 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0770 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 7 2 1 6 0 0 0 | + | 7 2 1 6 0 0 0 |
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| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 12 21 1 1 0 0 0 | + | 12 21 1 1 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 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAACS0002 | + | ID FL4DAACS0002 |
| − | KNApSAcK_ID C00014023 | + | KNApSAcK_ID C00014023 |
| − | NAME 8-C-Glucosyldihydrokaempferol | + | NAME 8-C-Glucosyldihydrokaempferol |
| − | CAS_RN 364353-6 | + | CAS_RN 364353-6 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O | + | SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O |
M END | M END | ||
| − | |||
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
1.0770 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7914 -0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 -0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7914 0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 -0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 -1.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2056 -0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -2.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2056 0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9744 -1.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 2.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6207 1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1960 1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 0.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0454 1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5272 1.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3958 2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6207 2.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8583 1.0431 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
7 2 1 6 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 1 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
12 21 1 1 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
13 25 1 0 0 0 0
S SKP 8
ID FL4DAACS0002
KNApSAcK_ID C00014023
NAME 8-C-Glucosyldihydrokaempferol
CAS_RN 364353-6
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c4)(ccc(O)c4)C(O1)C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O
M END
