Mol:FL5FECNS0016
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8202 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8202 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1282 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1282 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9942 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9942 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7471 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -1.8431 -1.3346 | + | M SVB 3 27 -1.8431 -1.3346 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.4611 -1.0591 | + | M SVB 2 25 0.4611 -1.0591 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.3202 0.4082 | + | M SVB 1 23 -2.3202 0.4082 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0016 | + | ID FL5FECNS0016 |
| − | KNApSAcK_ID C00004691 | + | KNApSAcK_ID C00004691 |
| − | NAME Quercetagetin 3,5,7-trimethyl ether | + | NAME Quercetagetin 3,5,7-trimethyl ether |
| − | CAS_RN 82784-42-7 | + | CAS_RN 82784-42-7 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O | + | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7471 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
2 18 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -1.8431 -1.3346
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.4611 -1.0591
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.3202 0.4082
S SKP 8
ID FL5FECNS0016
KNApSAcK_ID C00004691
NAME Quercetagetin 3,5,7-trimethyl ether
CAS_RN 82784-42-7
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O
M END
