Mol:FL1DHXGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5006 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6475 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6475 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1007 -2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1007 -2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6341 -1.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6341 -1.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4140 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4140 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6657 -1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6657 -1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1322 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1322 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3327 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3327 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8847 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8847 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7937 -2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7937 -2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4375 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4375 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8613 -2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8613 -2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0816 -0.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0816 -0.2045 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHXGS0001 | + | ID FL1DHXGS0001 |
| − | KNApSAcK_ID C00014634 | + | KNApSAcK_ID C00014634 |
| − | NAME Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside | + | NAME Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside |
| − | CAS_RN 464198-33-2 | + | CAS_RN 464198-33-2 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES c(C(C(Cc(c3)ccc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)(c1)c(O)cc(O)c1 | + | SMILES c(C(C(Cc(c3)ccc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)(c1)c(O)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.5006 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1007 -2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6341 -1.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 -1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6657 -1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1322 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8847 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7937 -2.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4375 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 -2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0816 -0.2045 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 19 1 0 0 0 0
13 18 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
8 31 1 0 0 0 0
23 31 1 0 0 0 0
S SKP 8
ID FL1DHXGS0001
KNApSAcK_ID C00014634
NAME Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside
CAS_RN 464198-33-2
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES c(C(C(Cc(c3)ccc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)(c1)c(O)cc(O)c1
M END
