Mol:FLNC29NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9742 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9742 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1382 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1382 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1382 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1382 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7150 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.2917 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2917 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9742 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9742 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4294 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4294 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3082 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3082 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3314 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3314 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8313 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8313 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5811 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5811 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 0.715 1.4943 | + | M SVB 2 21 0.715 1.4943 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -1.3314 1.78 | + | M SVB 1 19 -1.3314 1.78 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC29NS0003 | + | ID FLNC29NS0003 |
| − | KNApSAcK_ID C00010264 | + | KNApSAcK_ID C00010264 |
| − | NAME (R)-5-Hydroxy-2,4-dimethoxydalbergiquinol | + | NAME (R)-5-Hydroxy-2,4-dimethoxydalbergiquinol |
| − | CAS_RN 82358-44-9 | + | CAS_RN 82358-44-9 |
| − | FORMULA C17H18O3 | + | FORMULA C17H18O3 |
| − | EXACTMASS 270.12559444199997 | + | EXACTMASS 270.12559444199997 |
| − | AVERAGEMASS 270.32302 | + | AVERAGEMASS 270.32302 |
| − | SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cccc1 | + | SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-0.9742 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2917 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8313 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5811 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 2 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
8 16 1 0 0 0 0
5 17 1 1 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 0.715 1.4943
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -1.3314 1.78
S SKP 8
ID FLNC29NS0003
KNApSAcK_ID C00010264
NAME (R)-5-Hydroxy-2,4-dimethoxydalbergiquinol
CAS_RN 82358-44-9
FORMULA C17H18O3
EXACTMASS 270.12559444199997
AVERAGEMASS 270.32302
SMILES COc(c2)c(O)cc(c(OC)2)[C@]([H])(C=C)c(c1)cccc1
M END
