Mol:FLIADCNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2167 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2167 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2167 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2167 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6604 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6604 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1041 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1041 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6604 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6604 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4354 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4354 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4354 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4354 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1594 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1594 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7542 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7542 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7542 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7542 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1594 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1594 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 0.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 0.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3484 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3484 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1594 -0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1594 -0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3599 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3599 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3599 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3599 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9365 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9365 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8701 0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8701 0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5232 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5232 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0488 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0488 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5739 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5739 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0488 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0488 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5739 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5739 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0739 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0739 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0968 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0968 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3823 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3823 0.4848 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 -3.0968 0.8973 | + | M SVB 2 34 -3.0968 0.8973 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -3.5739 2.6401 | + | M SVB 1 32 -3.5739 2.6401 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIADCNI0001 | + | ID FLIADCNI0001 |
| − | KNApSAcK_ID C00009528 | + | KNApSAcK_ID C00009528 |
| − | NAME Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone | + | NAME Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone |
| − | CAS_RN 65893-94-9 | + | CAS_RN 65893-94-9 |
| − | FORMULA C27H30O6 | + | FORMULA C27H30O6 |
| − | EXACTMASS 450.204238692 | + | EXACTMASS 450.204238692 |
| − | AVERAGEMASS 450.5235 | + | AVERAGEMASS 450.5235 |
| − | SMILES C(C)(C)=CCOc(c3OCC=C(C)C)ccc(c3)C(=C1)C(=O)c(c2OC)c(cc(c2)OC)O1 | + | SMILES C(C)(C)=CCOc(c3OCC=C(C)C)ccc(c3)C(=C1)C(=O)c(c2OC)c(cc(c2)OC)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-3.2167 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2167 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 -0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5739 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5739 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0739 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0968 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 0.4848 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 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
18 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -3.0968 0.8973
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -3.5739 2.6401
S SKP 8
ID FLIADCNI0001
KNApSAcK_ID C00009528
NAME Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone
CAS_RN 65893-94-9
FORMULA C27H30O6
EXACTMASS 450.204238692
AVERAGEMASS 450.5235
SMILES C(C)(C)=CCOc(c3OCC=C(C)C)ccc(c3)C(=C1)C(=O)c(c2OC)c(cc(c2)OC)O1
M END
