Mol:FLIAAANP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6490 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6490 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6490 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6490 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0927 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0927 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5364 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5364 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5364 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5364 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0927 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0927 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9801 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9801 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4238 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4238 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4238 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4238 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9801 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9801 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1323 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1323 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1323 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1323 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7271 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7271 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3219 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3219 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3219 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3219 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7271 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7271 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9161 -1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9161 -1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2053 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2053 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7616 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7616 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7616 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7616 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2053 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2053 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7616 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7616 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2870 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2870 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0927 -0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0927 -0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5091 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5091 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1021 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1021 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6951 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6951 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6951 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6951 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2870 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2870 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9801 -0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9801 -0.9806 0.0000 O 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 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 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 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 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 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 |
| − | 7 30 2 0 0 0 0 | + | 7 30 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0006 | + | ID FLIAAANP0006 |
| − | KNApSAcK_ID C00009836 | + | KNApSAcK_ID C00009836 |
| − | NAME 4'-O-Prenylalpinumisoflavone | + | NAME 4'-O-Prenylalpinumisoflavone |
| − | CAS_RN 85985-76-8 | + | CAS_RN 85985-76-8 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES C(c(c4)ccc(c4)OCC=C(C)C)(C3=O)=COc(c31)cc(O2)c(C=CC2(C)C)c(O)1 | + | SMILES C(c(c4)ccc(c4)OCC=C(C)C)(C3=O)=COc(c31)cc(O2)c(C=CC2(C)C)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.6490 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6490 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5364 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5364 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9801 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4238 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4238 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9801 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1323 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1323 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3219 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3219 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9161 -1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2053 0.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2053 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2870 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 -0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5091 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1021 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6951 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6951 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2870 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9801 -0.9806 0.0000 O 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 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 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
1 2 1 0 0 0 0
14 17 1 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
3 24 1 0 0 0 0
17 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
7 30 2 0 0 0 0
S SKP 8
ID FLIAAANP0006
KNApSAcK_ID C00009836
NAME 4'-O-Prenylalpinumisoflavone
CAS_RN 85985-76-8
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(c(c4)ccc(c4)OCC=C(C)C)(C3=O)=COc(c31)cc(O2)c(C=CC2(C)C)c(O)1
M END
