Mol:FL5FAAGM0002
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 |
| − | -0.5618 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5618 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5618 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5508 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5508 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6634 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6634 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1071 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3534 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3534 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7865 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7865 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1179 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2195 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2195 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9376 1.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9376 1.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4602 0.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4602 0.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0333 -0.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0333 -0.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4185 0.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4185 0.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8253 0.0066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8253 0.0066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2564 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2564 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8844 0.2123 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8844 0.2123 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.0092 0.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0092 0.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6988 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6988 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0662 -0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0662 -0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0055 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0055 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1196 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1196 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0976 1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0976 1.1468 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 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 -3.1196 0.9381 | + | M SVB 1 35 -3.1196 0.9381 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGM0002 | + | ID FL5FAAGM0002 |
| − | KNApSAcK_ID C00005802 | + | KNApSAcK_ID C00005802 |
| − | NAME 8-C-Methylkaempferol 7-glucoside | + | NAME 8-C-Methylkaempferol 7-glucoside |
| − | CAS_RN 137052-33-6 | + | CAS_RN 137052-33-6 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)C)O | + | SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)C)O |
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
-0.5618 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5618 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5508 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3534 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 1.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 0.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0333 -0.2389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4185 0.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8253 0.0066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2564 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8844 0.2123 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.0092 0.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6988 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0976 1.1468 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
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
6 31 1 0 0 0 0
27 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 -3.1196 0.9381
S SKP 8
ID FL5FAAGM0002
KNApSAcK_ID C00005802
NAME 8-C-Methylkaempferol 7-glucoside
CAS_RN 137052-33-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)C)O
M END
