Mol:FL5FECNS0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1282 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1282 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9942 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9942 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8202 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8202 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1286 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7079 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -1.8431 -1.2954 | + | M SVB 4 28 -1.8431 -1.2954 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.6687 1.7079 | + | M SVB 3 26 1.6687 1.7079 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.3202 0.4474 | + | M SVB 2 24 -2.3202 0.4474 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.4611 -1.0199 | + | M SVB 1 22 0.4611 -1.0199 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0026 | + | ID FL5FECNS0026 |
| − | KNApSAcK_ID C00004702 | + | KNApSAcK_ID C00004702 |
| − | NAME Quercetagetin 3,5,7,3'-tetramethyl ether | + | NAME Quercetagetin 3,5,7,3'-tetramethyl ether |
| − | CAS_RN 29043-10-5 | + | CAS_RN 29043-10-5 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(OC)c(O)c2)OC)=O | + | SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(OC)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.7079 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -1.8431 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.6687 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.3202 0.4474
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.4611 -1.0199
S SKP 8
ID FL5FECNS0026
KNApSAcK_ID C00004702
NAME Quercetagetin 3,5,7,3'-tetramethyl ether
CAS_RN 29043-10-5
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(OC)c(O)c2)OC)=O
M END
