Mol:FL1DHXNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.8250 0.0000 O 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 |
| − | 1 8 1 0 0 0 0 | + | 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 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 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 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 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHXNI0002 | + | ID FL1DHXNI0002 |
| − | KNApSAcK_ID C00014618 | + | KNApSAcK_ID C00014618 |
| − | NAME alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone | + | NAME alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C24H28O5 | + | FORMULA C24H28O5 |
| − | EXACTMASS 396.193674006 | + | EXACTMASS 396.193674006 |
| − | AVERAGEMASS 396.47612000000004 | + | AVERAGEMASS 396.47612000000004 |
| − | SMILES c(c2)c(ccc2O)CC(C(=O)c(c(O)1)ccc(c1)OCC=C(C)CC=C(C)C)O | + | SMILES c(c2)c(ccc2O)CC(C(=O)c(c(O)1)ccc(c1)OCC=C(C)CC=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/
29 30 0 0 0 0 0 0 0 0999 V2000
-2.5006 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.8250 0.0000 O 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
1 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 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
15 17 1 0 0 0 0
4 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 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
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL1DHXNI0002
KNApSAcK_ID C00014618
NAME alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone
CAS_RN -
FORMULA C24H28O5
EXACTMASS 396.193674006
AVERAGEMASS 396.47612000000004
SMILES c(c2)c(ccc2O)CC(C(=O)c(c(O)1)ccc(c1)OCC=C(C)CC=C(C)C)O
M END
