Mol:FL1DA9NP0001
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 |
| − | 1.2403 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2403 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2403 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2403 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7051 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7051 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1698 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1698 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1698 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7051 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7051 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6728 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6728 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2084 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2084 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2560 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2560 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7192 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7192 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2560 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2560 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7192 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7192 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2028 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2028 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6863 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6863 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6863 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6863 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2028 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2028 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2358 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2358 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2028 -1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2028 -1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1698 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1698 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1698 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1698 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2028 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2028 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2358 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2358 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7193 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7193 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3123 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3123 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0907 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0907 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6455 1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6455 1.2885 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 6 0 0 0 | + | 21 26 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NP0001 | + | ID FL1DA9NP0001 |
| − | KNApSAcK_ID C00008012 | + | KNApSAcK_ID C00008012 |
| − | NAME 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone | + | NAME 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone |
| − | CAS_RN 125574-35-8 | + | CAS_RN 125574-35-8 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES c(c32)(c(c(c(c(C(O)CC(O3)(C)C)2)O)C)O)C(=O)CCc(c1)cccc1 | + | SMILES c(c32)(c(c(c(c(C(O)CC(O3)(C)C)2)O)C)O)C(=O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
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
1.2403 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2403 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6728 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2358 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 -1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2358 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7193 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3123 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6455 1.2885 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
12 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
20 15 1 0 0 0 0
13 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 6 0 0 0
S SKP 8
ID FL1DA9NP0001
KNApSAcK_ID C00008012
NAME 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone
CAS_RN 125574-35-8
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES c(c32)(c(c(c(c(C(O)CC(O3)(C)C)2)O)C)O)C(=O)CCc(c1)cccc1
M END
