Mol:FLIEDANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4619 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4619 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4619 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4619 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9056 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9056 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3493 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3493 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3493 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3493 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9056 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9056 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7633 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7633 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7633 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7633 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3194 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3194 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3194 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3194 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9142 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9142 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5090 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5090 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5090 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5090 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9142 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9142 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2128 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2128 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1032 -0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1032 -0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3194 1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3194 1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9163 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9163 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9163 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9163 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5100 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5100 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5100 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5100 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1032 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1032 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3420 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3420 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8191 1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8191 1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3191 2.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3191 2.5268 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -1.8191 1.6608 | + | M SVB 2 30 -1.8191 1.6608 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.342 -0.082 | + | M SVB 1 28 -1.342 -0.082 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIEDANI0001 | + | ID FLIEDANI0001 |
| − | KNApSAcK_ID C00009780 | + | KNApSAcK_ID C00009780 |
| − | NAME 1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan | + | NAME 1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan |
| − | CAS_RN 23013-85-6 | + | CAS_RN 23013-85-6 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES C(C)(C)=CCc(c(OC)1)c(OC)cc(O4)c1c(c2C(=O)4)oc(c3)c2ccc3O | + | SMILES C(C)(C)=CCc(c(OC)1)c(OC)cc(O4)c1c(c2C(=O)4)oc(c3)c2ccc3O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.4619 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3493 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3493 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9056 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7633 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7633 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9142 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5090 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9142 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2128 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1032 -0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9163 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9163 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5100 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5100 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1032 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3420 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8191 1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3191 2.5268 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 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 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
9 19 2 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -1.8191 1.6608
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.342 -0.082
S SKP 8
ID FLIEDANI0001
KNApSAcK_ID C00009780
NAME 1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan
CAS_RN 23013-85-6
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES C(C)(C)=CCc(c(OC)1)c(OC)cc(O4)c1c(c2C(=O)4)oc(c3)c2ccc3O
M END
