Mol:FLNC29NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 20 0 0 0 0 0 0 0 0999 V2000 | + | 19 20 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9053 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3490 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3490 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2071 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2071 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2071 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2071 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 0.1624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7838 0.1624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.3606 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3606 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3606 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3606 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9053 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3490 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3490 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2309 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2309 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2309 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2309 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3368 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3368 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3368 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3368 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3606 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3606 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2625 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2625 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7624 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7624 2.6461 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 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 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 |
| − | 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 -1.2625 1.78 | + | M SVB 1 19 -1.2625 1.78 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC29NS0002 | + | ID FLNC29NS0002 |
| − | KNApSAcK_ID C00010261 | + | KNApSAcK_ID C00010261 |
| − | NAME Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol | + | NAME Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol |
| − | CAS_RN 3527-07-9 | + | CAS_RN 3527-07-9 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES COc(c2)c(O)cc(c(O)2)C(C=C)c(c1)cccc1 | + | SMILES COc(c2)c(O)cc(c(O)2)C(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/
19 20 0 0 0 0 0 0 0 0999 V2000
-0.9053 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.1624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3606 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3606 0.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 2.6461 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 0 0 0 0
6 7 2 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
9 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
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 -1.2625 1.78
S SKP 8
ID FLNC29NS0002
KNApSAcK_ID C00010261
NAME Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol
CAS_RN 3527-07-9
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c2)c(O)cc(c(O)2)C(C=C)c(c1)cccc1
M END
