Mol:FLIA1LNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3617 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9178 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9178 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2039 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2039 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1746 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1746 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6074 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6074 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6074 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6074 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1992 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1992 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0156 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0156 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9178 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9178 -0.7535 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 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -4.4859 4.3555 | + | M SBV 1 28 -4.4859 4.3555 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNI0004 | + | ID FLIA1LNI0004 |
| − | KNApSAcK_ID C00009872 | + | KNApSAcK_ID C00009872 |
| − | NAME Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone | + | NAME Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone |
| − | CAS_RN 111922-23-7 | + | CAS_RN 111922-23-7 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c1CC=C(C)C)c(O)cc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)O | + | SMILES COc(c1CC=C(C)C)c(O)cc(c1C(C2=O)=COc(c3)c(ccc(O)3)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.3617 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2039 -1.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1746 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1992 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 -0.7535 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
19 14 1 0 0 0 0
12 20 1 0 0 0 0
16 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
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -4.4859 4.3555
S SKP 8
ID FLIA1LNI0004
KNApSAcK_ID C00009872
NAME Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone
CAS_RN 111922-23-7
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c1CC=C(C)C)c(O)cc(c1C(C2=O)=COc(c3)c(ccc(O)3)2)O
M END
