Mol:FLIAAANI0008
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 |
| − | -1.4645 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4645 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4645 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3519 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3519 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7607 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7607 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5064 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5064 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9116 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9116 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0206 1.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0206 1.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0207 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0207 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1006 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1006 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1006 -0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1006 -0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9082 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9082 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0629 -1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0629 -1.6486 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0008 | + | ID FLIAAANI0008 |
| − | KNApSAcK_ID C00009892 | + | KNApSAcK_ID C00009892 |
| − | NAME Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone | + | NAME Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone |
| − | CAS_RN 104691-87-4 | + | CAS_RN 104691-87-4 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES Oc(c1)ccc(C(=C3)C(=O)c(c2O)c(O3)cc(c(CC=C(CO)C)2)O)c1 | + | SMILES Oc(c1)ccc(C(=C3)C(=O)c(c2O)c(O3)cc(c(CC=C(CO)C)2)O)c1 |
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
-1.4645 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5064 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 1.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1006 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 -0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9082 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 -1.6486 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FLIAAANI0008
KNApSAcK_ID C00009892
NAME Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone
CAS_RN 104691-87-4
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES Oc(c1)ccc(C(=C3)C(=O)c(c2O)c(O3)cc(c(CC=C(CO)C)2)O)c1
M END
