Mol:FLIAABNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1829 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1829 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1829 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1829 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7390 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7390 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -2.6395 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 |
| − | 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.0247 -1.8458 | + | M SVB 1 27 2.0247 -1.8458 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAABNI0002 | + | ID FLIAABNI0002 |
| − | KNApSAcK_ID C00009897 | + | KNApSAcK_ID C00009897 |
| − | NAME Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone | + | NAME Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone |
| − | CAS_RN 129145-51-3 | + | CAS_RN 129145-51-3 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(OC)c2 | + | SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(OC)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1829 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -2.6395 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.0247 -1.8458
S SKP 8
ID FLIAABNI0002
KNApSAcK_ID C00009897
NAME Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone
CAS_RN 129145-51-3
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(OC)c2
M END
