Mol:FL5FDANS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0288 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0288 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8949 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8949 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 -1.4198 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -1.9425 -1.0073 | + | M SVB 3 25 -1.9425 -1.0073 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.4197 0.7355 | + | M SVB 2 23 -2.4197 0.7355 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.3617 -0.7319 | + | M SVB 1 21 0.3617 -0.7319 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDANS0004 | + | ID FL5FDANS0004 |
| − | KNApSAcK_ID C00004572 | + | KNApSAcK_ID C00004572 |
| − | NAME Kaempferol 3,5,7-trimethyl ether | + | NAME Kaempferol 3,5,7-trimethyl ether |
| − | CAS_RN 59259-80-2 | + | CAS_RN 59259-80-2 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(c12)C(c(c3)ccc(O)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC | + | SMILES O(c12)C(c(c3)ccc(O)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 -1.4198 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
15 18 1 0 0 0 0
8 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -1.9425 -1.0073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.4197 0.7355
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.3617 -0.7319
S SKP 8
ID FL5FDANS0004
KNApSAcK_ID C00004572
NAME Kaempferol 3,5,7-trimethyl ether
CAS_RN 59259-80-2
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(c12)C(c(c3)ccc(O)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC
M END
