Mol:FLIC4LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0040 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0040 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7878 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7878 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5403 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5403 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0403 2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0403 2.2919 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 1 0 0 0 0 | + | 7 8 1 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 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 |
| − | 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.5403 1.4259 | + | M SVB 3 26 -2.5403 1.4259 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.0247 -1.0493 | + | M SVB 2 24 2.0247 -1.0493 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.7756 -1.358 | + | M SVB 1 22 0.7756 -1.358 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC4LNS0001 | + | ID FLIC4LNS0001 |
| − | KNApSAcK_ID C00009723 | + | KNApSAcK_ID C00009723 |
| − | NAME Machaerol C;6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan | + | NAME Machaerol C;6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan |
| − | CAS_RN 51798-41-5 | + | CAS_RN 51798-41-5 |
| − | FORMULA C18H20O7 | + | FORMULA C18H20O7 |
| − | EXACTMASS 348.120902994 | + | EXACTMASS 348.120902994 |
| − | AVERAGEMASS 348.34720000000004 | + | AVERAGEMASS 348.34720000000004 |
| − | SMILES c(c3O)(OC)c(O)cc(c31)CC(c(c2O)ccc(c2OC)OC)CO1 | + | SMILES c(c3O)(OC)c(O)cc(c31)CC(c(c2O)ccc(c2OC)OC)CO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0403 2.2919 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 1 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 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
1 2 1 0 0 0 0
12 17 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.5403 1.4259
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0247 -1.0493
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.7756 -1.358
S SKP 8
ID FLIC4LNS0001
KNApSAcK_ID C00009723
NAME Machaerol C;6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan
CAS_RN 51798-41-5
FORMULA C18H20O7
EXACTMASS 348.120902994
AVERAGEMASS 348.34720000000004
SMILES c(c3O)(OC)c(O)cc(c31)CC(c(c2O)ccc(c2OC)OC)CO1
M END
