Mol:FLIAAACS0002
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9830 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9830 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9830 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9830 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4267 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8704 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8704 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8704 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8704 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4267 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2422 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2422 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2422 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2422 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 -0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 -0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3141 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3141 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5391 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5391 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1813 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1813 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7868 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7868 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5299 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5299 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0597 0.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0597 0.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3648 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3648 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4777 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4777 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8217 2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8217 2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1654 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1654 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7983 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7983 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7983 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7983 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3787 -2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3787 -2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9591 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9591 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9591 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9591 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3787 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3787 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5391 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5391 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4267 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9296 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9296 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2152 1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2152 1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -6.9475 5.7873 | + | M SBV 1 33 -6.9475 5.7873 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAACS0002 | + | ID FLIAAACS0002 |
| − | KNApSAcK_ID C00006118 | + | KNApSAcK_ID C00006118 |
| − | NAME Genistein 8-C-glucoside | + | NAME Genistein 8-C-glucoside |
| − | CAS_RN 66026-80-0 | + | CAS_RN 66026-80-0 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O | + | SMILES C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9830 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9830 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -1.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -0.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -2.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 -0.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1813 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0597 0.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 2.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 2.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1654 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3787 -2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 -2.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3787 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 -2.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9296 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2152 1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
8 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
3 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.9475 5.7873
S SKP 8
ID FLIAAACS0002
KNApSAcK_ID C00006118
NAME Genistein 8-C-glucoside
CAS_RN 66026-80-0
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C(O)1)(c(c(O)4)c(c(c(O)c4)3)OC=C(C3=O)c(c2)ccc(O)c2)OC(CO)C(O)C1O
M END
