Mol:FL1DACNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5059 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0770 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0770 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0770 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0770 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3625 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3625 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3520 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3520 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3520 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3520 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0665 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0665 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7809 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7809 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4954 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4954 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4954 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4954 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7809 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7809 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0665 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0665 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3625 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3625 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2204 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2204 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3625 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3625 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7809 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7809 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2204 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2204 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2204 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2204 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9348 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9348 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9348 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9348 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2204 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2204 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6493 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6493 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2099 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2099 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9243 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9243 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9243 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9243 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2099 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2099 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2820 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2820 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6493 -0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6493 -0.6068 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 |
| − | 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 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 |
| − | 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 13 1 0 0 0 0 | + | 34 13 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DACNP0001 | + | ID FL1DACNP0001 |
| − | KNApSAcK_ID C00014621 | + | KNApSAcK_ID C00014621 |
| − | NAME 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone | + | NAME 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone |
| − | CAS_RN 205109-18-8 | + | CAS_RN 205109-18-8 |
| − | FORMULA C30H36O6 | + | FORMULA C30H36O6 |
| − | EXACTMASS 492.251188884 | + | EXACTMASS 492.251188884 |
| − | AVERAGEMASS 492.60324 | + | AVERAGEMASS 492.60324 |
| − | SMILES Oc(c(CC=C(C)CCC=C(C)C)1)cc(O)c(C(CCc(c2)cc(O)c(O3)c2C=CC(C)(C)3)=O)c(O)1 | + | SMILES Oc(c(CC=C(C)CCC=C(C)C)1)cc(O)c(C(CCc(c2)cc(O)c(O3)c2C=CC(C)(C)3)=O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-2.5059 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0770 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0770 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7809 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7809 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2204 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7809 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2204 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2204 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9348 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9348 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2204 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6493 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2099 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2099 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2820 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6493 -0.6068 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
4 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
14 20 1 0 0 0 0
6 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 13 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
S SKP 8
ID FL1DACNP0001
KNApSAcK_ID C00014621
NAME 2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone
CAS_RN 205109-18-8
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES Oc(c(CC=C(C)CCC=C(C)C)1)cc(O)c(C(CCc(c2)cc(O)c(O3)c2C=CC(C)(C)3)=O)c(O)1
M END
