Mol:FL1CADGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7279 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7279 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7279 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7279 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1739 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1739 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6199 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6199 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6199 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6199 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1739 1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1739 1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0662 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0662 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4864 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4864 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0377 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0377 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1262 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1262 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6646 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6646 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6646 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6646 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1262 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1262 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0662 -0.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0662 -0.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1739 -0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1739 -0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2816 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2816 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2028 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2028 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0662 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0662 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1729 -0.6138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1729 -0.6138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.8267 -1.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8267 -1.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3281 -0.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3281 -0.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8084 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8084 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1966 -0.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1966 -0.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7059 -0.7050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7059 -0.7050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6181 -0.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6181 -0.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1536 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1536 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0424 -1.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0424 -1.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5306 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5306 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3966 -0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3966 -0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6830 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6830 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4307 0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4307 0.0442 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 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 17 1 0 0 0 0 | + | 24 17 1 0 0 0 0 |
| − | 12 30 1 0 0 0 0 | + | 12 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 34 -2.7529 -0.3065 | + | M SVB 2 34 -2.7529 -0.3065 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 2.8456 0.1894 | + | M SVB 1 32 2.8456 0.1894 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CADGS0001 | + | ID FL1CADGS0001 |
| − | KNApSAcK_ID C00007916 | + | KNApSAcK_ID C00007916 |
| − | NAME Homoeriodictyolchalcone 2'-glucoside | + | NAME Homoeriodictyolchalcone 2'-glucoside |
| − | CAS_RN 80830-19-9 | + | CAS_RN 80830-19-9 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(C(=O)C=Cc(c3)cc(c(c3)O)OC)2)cc(O)cc(O)2)OC(CO)[C@@H]1O | + | SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(C(=O)C=Cc(c3)cc(c(c3)O)OC)2)cc(O)cc(O)2)OC(CO)[C@@H]1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.7279 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6199 1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 1.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0662 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4864 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1262 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6646 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1262 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0662 -0.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 -0.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2028 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0662 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1729 -0.6138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8267 -1.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3281 -0.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8084 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1966 -0.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7059 -0.7050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6181 -0.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1536 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -1.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5306 -0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3966 -0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4307 0.0442 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 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 17 1 0 0 0 0
12 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 CH2OH
M SVB 2 34 -2.7529 -0.3065
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 2.8456 0.1894
S SKP 8
ID FL1CADGS0001
KNApSAcK_ID C00007916
NAME Homoeriodictyolchalcone 2'-glucoside
CAS_RN 80830-19-9
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c(C(=O)C=Cc(c3)cc(c(c3)O)OC)2)cc(O)cc(O)2)OC(CO)[C@@H]1O
M END
