Mol:FL5FEAGL0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1860 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1860 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0384 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0384 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6255 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6255 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0072 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0072 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2268 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2268 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8452 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8452 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4323 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4323 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2004 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2004 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4200 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4200 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3383 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3383 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6131 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6131 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3892 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3892 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8100 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8100 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4547 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4547 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6787 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6787 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2578 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2578 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0335 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0335 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8617 -1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8617 -1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3124 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3124 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9247 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.9247 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6702 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6702 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4201 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4201 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8079 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8079 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0624 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5853 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5853 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3644 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3644 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3209 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3209 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8755 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8755 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6706 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6706 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7273 -5.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7273 -5.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2577 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2577 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2661 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2661 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3961 -2.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3961 -2.5049 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 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 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 3.2661 -1.5134 | + | M SVB 2 36 3.2661 -1.5134 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -3.3209 -0.3407 | + | M SVB 1 34 -3.3209 -0.3407 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGL0005 | + | ID FL5FEAGL0005 |
| − | KNApSAcK_ID C00005316 | + | KNApSAcK_ID C00005316 |
| − | NAME 6-Methoxykaempferol 3-glucoside | + | NAME 6-Methoxykaempferol 3-glucoside |
| − | CAS_RN 63422-27-5 | + | CAS_RN 63422-27-5 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c1)(ccc(C(O4)=C(C(=O)c(c43)c(c(OC)c(c3)O)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1)O | + | SMILES c(c1)(ccc(C(O4)=C(C(=O)c(c43)c(c(OC)c(c3)O)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.1860 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0384 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6255 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0072 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2268 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4323 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2004 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4200 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3383 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4547 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2578 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -5.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8617 -1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3124 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9247 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6702 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4201 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8079 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0624 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5853 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3209 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8755 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 -5.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2661 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3961 -2.5049 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 3.2661 -1.5134
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -3.3209 -0.3407
S SKP 8
ID FL5FEAGL0005
KNApSAcK_ID C00005316
NAME 6-Methoxykaempferol 3-glucoside
CAS_RN 63422-27-5
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c1)(ccc(C(O4)=C(C(=O)c(c43)c(c(OC)c(c3)O)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1)O
M END
