Mol:FL1CBAGS0001
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5039 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5039 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5039 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5039 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9499 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9499 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3959 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3959 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3959 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3959 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9499 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9499 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2896 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2896 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7383 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7383 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1881 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1881 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3502 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3502 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8886 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8886 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8886 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8886 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3502 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3502 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1881 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1881 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1305 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1305 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8297 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8297 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4082 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4082 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9901 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9901 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2910 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2910 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7125 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5718 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5718 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9507 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9507 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8742 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8742 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2828 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2828 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9499 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9499 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0576 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0576 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3431 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3431 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0576 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0576 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1277 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1277 0.2792 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 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 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 26 13 1 0 0 0 0 | + | 26 13 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 31 -4.4668 5.2868 | + | M SBV 1 31 -4.4668 5.2868 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 33 -4.2660 5.5798 | + | M SBV 2 33 -4.2660 5.5798 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBAGS0001 | + | ID FL1CBAGS0001 |
| − | KNApSAcK_ID C00007177 | + | KNApSAcK_ID C00007177 |
| − | NAME 4,2',4'-Trihydroxy-6'-methoxychalcone 4-glucoside | + | NAME 4,2',4'-Trihydroxy-6'-methoxychalcone 4-glucoside |
| − | CAS_RN 155913-99-8 | + | CAS_RN 155913-99-8 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES c(c2)c(ccc2OC(C(O)3)OC(CO)C(O)C3O)C=CC(=O)c(c(O)1)c(OC)cc(c1)O | + | SMILES c(c2)c(ccc2OC(C(O)3)OC(CO)C(O)C3O)C=CC(=O)c(c(O)1)c(OC)cc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-3.5039 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5039 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9499 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 -0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9499 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2896 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7383 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1881 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8886 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8886 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1881 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1305 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8297 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4082 0.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9901 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2910 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5718 0.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9507 1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8742 0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2828 0.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9499 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0576 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3431 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0576 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 0.2792 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
17 18 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 17 1 0 0 0 0
17 23 1 0 0 0 0
22 24 1 0 0 0 0
21 25 1 0 0 0 0
18 26 1 0 0 0 0
26 13 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
20 29 1 0 0 0 0
29 30 1 0 0 0 0
5 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 CH2OH
M SBV 1 31 -4.4668 5.2868
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 33
M SMT 2 OCH3
M SBV 2 33 -4.2660 5.5798
S SKP 8
ID FL1CBAGS0001
KNApSAcK_ID C00007177
NAME 4,2',4'-Trihydroxy-6'-methoxychalcone 4-glucoside
CAS_RN 155913-99-8
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES c(c2)c(ccc2OC(C(O)3)OC(CO)C(O)C3O)C=CC(=O)c(c(O)1)c(OC)cc(c1)O
M END
