Mol:FL1C1AGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.9654 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2509 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2509 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4636 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4636 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4636 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4636 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.8925 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8925 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8925 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8925 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3215 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3215 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0359 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0359 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0359 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0359 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3215 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3215 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1781 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1781 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7245 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7245 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2887 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2887 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8109 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8109 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0357 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0357 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2244 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2244 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7022 1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7022 1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4775 0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4775 0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6887 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6887 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1925 1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1925 1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7245 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7245 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2819 0.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2819 0.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1464 0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1464 0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4102 -2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4102 -2.4009 0.0000 C 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 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 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 30 21 1 0 0 0 0 | + | 30 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1AGS0011 | + | ID FL1C1AGS0011 |
| − | KNApSAcK_ID C00014498 | + | KNApSAcK_ID C00014498 |
| − | NAME 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside | + | NAME 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside |
| − | CAS_RN 597550-52-2 | + | CAS_RN 597550-52-2 |
| − | FORMULA C26H30O9 | + | FORMULA C26H30O9 |
| − | EXACTMASS 486.188982558 | + | EXACTMASS 486.188982558 |
| − | AVERAGEMASS 486.51099999999997 | + | AVERAGEMASS 486.51099999999997 |
| − | SMILES C(=Cc(c3)ccc(O)c3)C(=O)c(c2)c(O)c(c(c2)OC(O1)C(C(C(C(CO)1)O)O)O)CC=C(C)C | + | SMILES C(=Cc(c3)ccc(O)c3)C(=O)c(c2)c(O)c(c(c2)OC(O1)C(C(C(C(CO)1)O)O)O)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-0.9654 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7245 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2887 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8109 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2244 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7022 1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6887 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1925 1.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7245 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2819 0.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1464 0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6521 1.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 -0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4102 -1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4102 -2.4009 0.0000 C 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 2 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
13 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
30 21 1 0 0 0 0
S SKP 8
ID FL1C1AGS0011
KNApSAcK_ID C00014498
NAME 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
CAS_RN 597550-52-2
FORMULA C26H30O9
EXACTMASS 486.188982558
AVERAGEMASS 486.51099999999997
SMILES C(=Cc(c3)ccc(O)c3)C(=O)c(c2)c(O)c(c(c2)OC(O1)C(C(C(C(CO)1)O)O)O)CC=C(C)C
M END
