Mol:FLIABBNP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6036 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6036 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6036 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6036 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0473 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0473 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4910 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4910 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4910 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4910 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0473 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0473 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0653 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0653 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6216 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6216 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6216 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6216 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0653 1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0653 1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1777 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1777 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1777 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1777 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3672 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3672 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3672 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3672 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0653 -0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0653 -0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1597 1.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1597 1.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7162 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7162 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7162 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7162 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1599 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1599 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0579 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0579 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3187 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3187 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2332 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2332 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0992 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0992 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4837 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4837 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7693 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7693 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -1.4837 -0.2855 | + | M SVB 2 29 -1.4837 -0.2855 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.6042 -1.0179 | + | M SVB 1 27 2.6042 -1.0179 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABBNP0001 | + | ID FLIABBNP0001 |
| − | KNApSAcK_ID C00009504 | + | KNApSAcK_ID C00009504 |
| − | NAME Alpinumisoflavone dimethyl ether | + | NAME Alpinumisoflavone dimethyl ether |
| − | CAS_RN 34086-56-1 | + | CAS_RN 34086-56-1 |
| − | FORMULA C22H20O5 | + | FORMULA C22H20O5 |
| − | EXACTMASS 364.13107375 | + | EXACTMASS 364.13107375 |
| − | AVERAGEMASS 364.3912 | + | AVERAGEMASS 364.3912 |
| − | SMILES c(c1)c(ccc1C(=C4)C(c(c2OC)c(O4)cc(O3)c(C=CC3(C)C)2)=O)OC | + | SMILES c(c1)c(ccc1C(=C4)C(c(c2OC)c(O4)cc(O3)c(C=CC3(C)C)2)=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6036 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6036 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4910 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4910 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0653 -0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 1.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0579 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3187 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2332 -1.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0992 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4837 -0.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7693 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.4837 -0.2855
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.6042 -1.0179
S SKP 8
ID FLIABBNP0001
KNApSAcK_ID C00009504
NAME Alpinumisoflavone dimethyl ether
CAS_RN 34086-56-1
FORMULA C22H20O5
EXACTMASS 364.13107375
AVERAGEMASS 364.3912
SMILES c(c1)c(ccc1C(=C4)C(c(c2OC)c(O4)cc(O3)c(C=CC3(C)C)2)=O)OC
M END
