Mol:FL5FAAGM0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1476 -4.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1476 -4.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7803 -4.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7803 -4.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0000 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0000 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5871 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5871 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0456 -3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0456 -3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2653 -4.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2653 -4.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8068 -3.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8068 -3.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3939 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3939 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2388 -2.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2388 -2.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4585 -3.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4585 -3.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2999 -2.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2999 -2.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6515 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6515 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4276 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4276 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4931 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4931 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7171 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7171 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2962 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2962 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8232 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8232 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2739 -0.4941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.2739 -0.4941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8863 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.8863 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6317 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6317 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3817 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3817 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.7694 -0.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.7694 -0.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0239 -0.7071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0239 -0.7071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5468 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5468 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2928 -0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2928 -0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2557 -0.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2557 -0.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9139 -0.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9139 -0.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6322 -4.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6322 -4.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0582 -5.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0582 -5.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0818 -5.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0818 -5.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2219 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2219 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3557 -2.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3557 -2.5013 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 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 |
| − | 31 2 1 0 0 0 0 | + | 31 2 1 0 0 0 0 |
| − | 22 32 1 0 0 0 0 | + | 22 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 3.2219 -1.5103 | + | M SVB 1 35 3.2219 -1.5103 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGM0001 | + | ID FL5FAAGM0001 |
| − | KNApSAcK_ID C00005801 | + | KNApSAcK_ID C00005801 |
| − | NAME 6-C-Methylkaempferol 3-glucoside | + | NAME 6-C-Methylkaempferol 3-glucoside |
| − | CAS_RN 68116-36-9 | + | CAS_RN 68116-36-9 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c4O)(c(O)c(c(c4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)C | + | SMILES c(c4O)(c(O)c(c(c4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.1476 -4.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7803 -4.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0456 -3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2653 -4.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 -3.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3939 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2388 -2.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 -3.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2999 -2.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6515 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4931 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7171 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2962 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8232 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2739 -0.4941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8863 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6317 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3817 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7694 -0.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0239 -0.7071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5468 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 -0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 -0.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9139 -0.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6322 -4.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0582 -5.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0818 -5.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2219 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3557 -2.5013 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
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
31 2 1 0 0 0 0
22 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 3.2219 -1.5103
S SKP 8
ID FL5FAAGM0001
KNApSAcK_ID C00005801
NAME 6-C-Methylkaempferol 3-glucoside
CAS_RN 68116-36-9
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4O)(c(O)c(c(c4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)C
M END
