Mol:FL1AAANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2456 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2456 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3230 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3230 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8032 0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8032 0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1187 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1187 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0026 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0026 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2037 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2037 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5311 -0.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5311 -0.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.8993 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AAANS0001 | + | ID FL1AAANS0001 |
| − | KNApSAcK_ID C00008025 | + | KNApSAcK_ID C00008025 |
| − | NAME 4,6,4'-Trihydroxyaurone | + | NAME 4,6,4'-Trihydroxyaurone |
| − | CAS_RN 25078-14-2 | + | CAS_RN 25078-14-2 |
| − | FORMULA C15H10O5 | + | FORMULA C15H10O5 |
| − | EXACTMASS 270.05282343 | + | EXACTMASS 270.05282343 |
| − | AVERAGEMASS 270.2369 | + | AVERAGEMASS 270.2369 |
| − | SMILES Oc(c3)ccc(c3)C=c(o1)c(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C=c(o1)c(=O)c(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.2456 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -0.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.8993 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
6 20 1 0 0 0 0
S SKP 8
ID FL1AAANS0001
KNApSAcK_ID C00008025
NAME 4,6,4'-Trihydroxyaurone
CAS_RN 25078-14-2
FORMULA C15H10O5
EXACTMASS 270.05282343
AVERAGEMASS 270.2369
SMILES Oc(c3)ccc(c3)C=c(o1)c(=O)c(c(O)2)c(cc(O)c2)1
M END
