Mol:FLNC29NS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8446 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8446 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2883 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2883 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2678 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2678 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2678 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2678 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.8446 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.4213 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4213 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2874 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2874 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8446 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8446 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2883 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2883 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8446 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2916 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2916 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2916 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2916 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8446 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3975 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3975 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3975 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3975 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4378 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4378 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8446 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7107 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7107 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2018 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2018 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5590 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5590 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5377 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5377 0.8740 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 |
| − | 5 16 1 1 0 0 0 | + | 5 16 1 1 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 3 2 21 22 |
| − | M SBL 3 1 22 | + | M SBL 3 1 22 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 22 -1.559 0.6689 | + | M SVB 3 22 -1.559 0.6689 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 19 20 | + | M SAL 2 2 19 20 |
| − | M SBL 2 1 20 | + | M SBL 2 1 20 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 20 -1.2018 1.78 | + | M SVB 2 20 -1.2018 1.78 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 17 18 | + | M SAL 1 2 17 18 |
| − | M SBL 1 1 18 | + | M SBL 1 1 18 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 18 0.8446 1.4943 | + | M SVB 1 18 0.8446 1.4943 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC29NS0004 | + | ID FLNC29NS0004 |
| − | KNApSAcK_ID C00010265 | + | KNApSAcK_ID C00010265 |
| − | NAME (R)-2,4,5-Trimethoxydalbergiquinol | + | NAME (R)-2,4,5-Trimethoxydalbergiquinol |
| − | CAS_RN 14753-80-1 | + | CAS_RN 14753-80-1 |
| − | FORMULA C18H20O3 | + | FORMULA C18H20O3 |
| − | EXACTMASS 284.141244506 | + | EXACTMASS 284.141244506 |
| − | AVERAGEMASS 284.3496 | + | AVERAGEMASS 284.3496 |
| − | SMILES c(c(OC)1)(OC)cc(c([C@](c(c2)cccc2)([H])C=C)c1)OC | + | SMILES c(c(OC)1)(OC)cc(c([C@](c(c2)cccc2)([H])C=C)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-0.8446 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2883 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2678 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2678 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4213 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8446 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2883 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2916 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2916 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4378 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7107 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2018 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5590 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5377 0.8740 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
5 16 1 1 0 0 0
3 17 1 0 0 0 0
17 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 21 22
M SBL 3 1 22
M SMT 3 OCH3
M SVB 3 22 -1.559 0.6689
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 20
M SMT 2 OCH3
M SVB 2 20 -1.2018 1.78
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 18
M SMT 1 OCH3
M SVB 1 18 0.8446 1.4943
S SKP 8
ID FLNC29NS0004
KNApSAcK_ID C00010265
NAME (R)-2,4,5-Trimethoxydalbergiquinol
CAS_RN 14753-80-1
FORMULA C18H20O3
EXACTMASS 284.141244506
AVERAGEMASS 284.3496
SMILES c(c(OC)1)(OC)cc(c([C@](c(c2)cccc2)([H])C=C)c1)OC
M END
