Mol:FL4DAANI0002
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 |
| − | -0.7541 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7541 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2332 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2332 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2332 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2332 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7541 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7541 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8085 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3294 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3294 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3294 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3294 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8085 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8498 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8498 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8085 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3841 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3841 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9185 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9185 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9185 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9185 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3841 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3841 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8498 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8498 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2745 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2745 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8498 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8498 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2332 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2332 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4136 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4136 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9328 0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9328 0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4520 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4520 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9328 -0.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9328 -0.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANI0002 | + | ID FL4DAANI0002 |
| − | KNApSAcK_ID C00008615 | + | KNApSAcK_ID C00008615 |
| − | NAME 3,5,4'-Trihydroxy-7-prenyloxyflavanone | + | NAME 3,5,4'-Trihydroxy-7-prenyloxyflavanone |
| − | CAS_RN 78876-50-3 | + | CAS_RN 78876-50-3 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c3)c(ccc(O)3)C(C2O)Oc(c1)c(C2=O)c(cc1OCC=C(C)C)O | + | SMILES c(c3)c(ccc(O)3)C(C2O)Oc(c1)c(C2=O)c(cc1OCC=C(C)C)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.7541 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7541 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3294 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3294 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8498 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3841 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9185 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9185 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3841 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8498 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8498 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4136 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4520 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9328 -0.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
22 18 1 0 0 0 0
S SKP 8
ID FL4DAANI0002
KNApSAcK_ID C00008615
NAME 3,5,4'-Trihydroxy-7-prenyloxyflavanone
CAS_RN 78876-50-3
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c3)c(ccc(O)3)C(C2O)Oc(c1)c(C2=O)c(cc1OCC=C(C)C)O
M END
