Mol:FL2F3ANS0001
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 |
| − | -1.9629 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 1.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 1.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5192 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5192 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F3ANS0001 | + | ID FL2F3ANS0001 |
| − | KNApSAcK_ID C00008192 | + | KNApSAcK_ID C00008192 |
| − | NAME 7,8,4'-Trihydroxyflavanone | + | NAME 7,8,4'-Trihydroxyflavanone |
| − | CAS_RN 5023-05-2 | + | CAS_RN 5023-05-2 |
| − | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
| − | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
| − | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
| − | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(ccc(O)2)C(=O)1 | + | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(ccc(O)2)C(=O)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
-1.9629 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 1.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
6 18 1 0 0 0 0
19 1 1 0 0 0 0
14 20 1 0 0 0 0
S SKP 8
ID FL2F3ANS0001
KNApSAcK_ID C00008192
NAME 7,8,4'-Trihydroxyflavanone
CAS_RN 5023-05-2
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(ccc(O)2)C(=O)1
M END
