Mol:FLIAALNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9277 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9277 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1137 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1137 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7375 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7375 -0.1289 0.0000 O 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0006 | + | ID FLIAALNI0006 |
| − | KNApSAcK_ID C00009523 | + | KNApSAcK_ID C00009523 |
| − | NAME Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone | + | NAME Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone |
| − | CAS_RN 90686-13-8 | + | CAS_RN 90686-13-8 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c13)c(c(c(c(C(C(=CO3)c(c2)c(c(c(c2)O)CC=C(C)C)O)=O)1)O)CC=C(C)C)O | + | SMILES c(c13)c(c(c(c(C(C(=CO3)c(c2)c(c(c(c2)O)CC=C(C)C)O)=O)1)O)CC=C(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/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.4496 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9277 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1137 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7375 -0.1289 0.0000 O 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
13 21 1 0 0 0 0
1 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
21 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FLIAALNI0006
KNApSAcK_ID C00009523
NAME Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone
CAS_RN 90686-13-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c13)c(c(c(c(C(C(=CO3)c(c2)c(c(c(c2)O)CC=C(C)C)O)=O)1)O)CC=C(C)C)O
M END
