Mol:FL2FE8NS0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1970 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1970 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1970 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1970 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4826 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4826 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0536 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0536 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6609 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6609 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6609 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6609 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0536 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0536 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1338 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1338 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8483 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8483 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8483 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8483 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1338 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1338 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0536 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0536 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4826 -1.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4826 -1.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1338 -0.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1338 -0.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4666 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4666 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9816 0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9816 0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4666 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4666 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9816 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9816 -0.9355 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 |
| − | 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0005 | + | ID FL2FE8NS0005 |
| − | KNApSAcK_ID C00014131 | + | KNApSAcK_ID C00014131 |
| − | NAME 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone | + | NAME 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 188440-64-4 | + | CAS_RN 188440-64-4 |
| − | FORMULA C16H12O7 | + | FORMULA C16H12O7 |
| − | EXACTMASS 316.058302738 | + | EXACTMASS 316.058302738 |
| − | AVERAGEMASS 316.26228000000003 | + | AVERAGEMASS 316.26228000000003 |
| − | SMILES Oc(c4)c(O)c(cc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1 | + | SMILES Oc(c4)c(O)c(cc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.1970 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1970 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0536 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6609 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6609 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0536 0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1338 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8483 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8483 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1338 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0536 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -1.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1338 -0.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4666 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9816 0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4666 -0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9816 -0.9355 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
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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
12 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 2 1 0 0 0 0
S SKP 8
ID FL2FE8NS0005
KNApSAcK_ID C00014131
NAME 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone
CAS_RN 188440-64-4
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES Oc(c4)c(O)c(cc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1
M END
