Mol:FL5FEAGL0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8062 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8062 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8062 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8062 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2499 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2499 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6936 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6936 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6936 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6936 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2499 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2499 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5810 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5810 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 -0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 -0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0249 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0249 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5421 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5421 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1091 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1091 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1091 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1091 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5421 2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5421 2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0249 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0249 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0671 -0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0671 -0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1126 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1126 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7249 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7249 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4704 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4704 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2204 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2204 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6081 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6081 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8626 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8626 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3855 0.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3855 0.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1314 0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1314 0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0944 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0944 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6759 2.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6759 2.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2499 -0.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2499 -0.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4171 1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4171 1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8493 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8493 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1949 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1949 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1544 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1544 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5058 -1.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5058 -1.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5206 -2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5206 -2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5206 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5206 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8062 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8062 0.0737 0.0000 C 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 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 2 36 1 0 0 0 0 | + | 2 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 39 -5.9296 6.5942 | + | M SBV 1 39 -5.9296 6.5942 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGL0010 | + | ID FL5FEAGL0010 |
| − | KNApSAcK_ID C00005935 | + | KNApSAcK_ID C00005935 |
| − | NAME 6-Methoxykaempferol 3-(6''-acetylglucoside) | + | NAME 6-Methoxykaempferol 3-(6''-acetylglucoside) |
| − | CAS_RN 118201-25-5 | + | CAS_RN 118201-25-5 |
| − | FORMULA C24H24O13 | + | FORMULA C24H24O13 |
| − | EXACTMASS 520.121690854 | + | EXACTMASS 520.121690854 |
| − | AVERAGEMASS 520.43956 | + | AVERAGEMASS 520.43956 |
| − | SMILES c(c4OC)(O)c(c(cc(O)4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(O1)C(O)C(O)C(O)C1COC(C)=O | + | SMILES c(c4OC)(O)c(c(cc(O)4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(O1)C(O)C(O)C(O)C1COC(C)=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/
37 40 0 0 0 0 0 0 0 0999 V2000
-2.8062 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8062 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2499 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2499 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0249 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5421 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5421 2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0249 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0671 -0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7249 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4704 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2204 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6081 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8626 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 0.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1314 0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0944 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6759 2.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2499 -0.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4171 1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8493 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1949 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5058 -1.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5206 -2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5206 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8062 0.0737 0.0000 C 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
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
2 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 ^OCH3
M SBV 1 39 -5.9296 6.5942
S SKP 8
ID FL5FEAGL0010
KNApSAcK_ID C00005935
NAME 6-Methoxykaempferol 3-(6''-acetylglucoside)
CAS_RN 118201-25-5
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES c(c4OC)(O)c(c(cc(O)4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(O1)C(O)C(O)C(O)C1COC(C)=O
M END
