Mol:FLIAAANI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8578 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.9020 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0005 | + | ID FLIAAANI0005 |
| − | KNApSAcK_ID C00009831 | + | KNApSAcK_ID C00009831 |
| − | NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone | + | NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone |
| − | CAS_RN 68436-47-5 | + | CAS_RN 68436-47-5 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)O | + | SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.9020 0.0000 C 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 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
S SKP 8
ID FLIAAANI0005
KNApSAcK_ID C00009831
NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone
CAS_RN 68436-47-5
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)O
M END
