Mol:FLIAACNI0005
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 |
| − | -2.3394 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4419 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4419 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4419 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4419 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2257 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2257 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4504 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4504 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4504 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4504 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0053 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0053 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2263 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2263 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8205 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8205 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4135 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4135 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4135 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4135 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0053 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0053 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 -1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 -1.5005 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 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 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNI0005 | + | ID FLIAACNI0005 |
| − | KNApSAcK_ID C00009922 | + | KNApSAcK_ID C00009922 |
| − | NAME Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone | + | NAME Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone |
| − | CAS_RN 129280-34-8 | + | CAS_RN 129280-34-8 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(O3)=C(C(=O)c(c32)c(O)c(CC=C(C)C)c(c2)O)c(c1)cc(c(c1O)O)CC=C(C)C | + | SMILES C(O3)=C(C(=O)c(c32)c(O)c(CC=C(C)C)c(c2)O)c(c1)cc(c(c1O)O)CC=C(C)C |
M END | M END | ||
| − | |||
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
-2.3394 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 -0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -1.5005 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 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
13 31 1 0 0 0 0
S SKP 8
ID FLIAACNI0005
KNApSAcK_ID C00009922
NAME Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone
CAS_RN 129280-34-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(O3)=C(C(=O)c(c32)c(O)c(CC=C(C)C)c(c2)O)c(c1)cc(c(c1O)O)CC=C(C)C
M END
