Mol:FLIAAFNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0347 -2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 -2.5883 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 13 33 1 0 0 0 0 | + | 13 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 1.3202 -2.1758 | + | M SVB 2 36 1.3202 -2.1758 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 2.5693 -1.8672 | + | M SVB 1 34 2.5693 -1.8672 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAFNP0001 | + | ID FLIAAFNP0001 |
| − | KNApSAcK_ID C00009530 | + | KNApSAcK_ID C00009530 |
| − | NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone | + | NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone |
| − | CAS_RN 78876-31-0 | + | CAS_RN 78876-31-0 |
| − | FORMULA C27H32O7 | + | FORMULA C27H32O7 |
| − | EXACTMASS 468.214803378 | + | EXACTMASS 468.214803378 |
| − | AVERAGEMASS 468.53878 | + | AVERAGEMASS 468.53878 |
| − | SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O | + | SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 -2.5883 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
3 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
13 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 1.3202 -2.1758
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.5693 -1.8672
S SKP 8
ID FLIAAFNP0001
KNApSAcK_ID C00009530
NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
CAS_RN 78876-31-0
FORMULA C27H32O7
EXACTMASS 468.214803378
AVERAGEMASS 468.53878
SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O
M END
