Mol:FLIA1LNS0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3353 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3353 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 1.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 1.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4460 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4460 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4460 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4460 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0408 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0408 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6356 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6356 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6356 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6356 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0408 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0408 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2888 -1.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2888 -1.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6925 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6925 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2888 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2888 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6925 1.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6925 1.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1925 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1925 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2014 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2014 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2015 -2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2015 -2.0549 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 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 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 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 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -0.2684 -0.9282 | + | M SVB 2 26 -0.2684 -0.9282 |
| − | 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.6925 1.3407 | + | M SVB 1 24 -2.6925 1.3407 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNS0008 | + | ID FLIA1LNS0008 |
| − | KNApSAcK_ID C00009410 | + | KNApSAcK_ID C00009410 |
| − | NAME Cuneatin methyl ether | + | NAME Cuneatin methyl ether |
| − | CAS_RN 4253-00-3 | + | CAS_RN 4253-00-3 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(OC)cc1 | + | SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.3353 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 1.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4460 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -1.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6925 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6925 1.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1925 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2014 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2015 -2.0549 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
12 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -0.2684 -0.9282
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.6925 1.3407
S SKP 8
ID FLIA1LNS0008
KNApSAcK_ID C00009410
NAME Cuneatin methyl ether
CAS_RN 4253-00-3
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(OC)cc1
M END
