Mol:FL2F9ANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 1.0017 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F9ANS0002 | + | ID FL2F9ANS0002 |
| − | KNApSAcK_ID C00008392 | + | KNApSAcK_ID C00008392 |
| − | NAME 5,8,4'-Trihydroxyflavanone | + | NAME 5,8,4'-Trihydroxyflavanone |
| − | CAS_RN 123067-25-4 | + | CAS_RN 123067-25-4 |
| − | 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(c(O)cc2)C(=O)1 | + | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc2)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
-2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 1.0017 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
2 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 4 1 0 0 0 0
10 12 1 0 0 0 0
8 13 2 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
S SKP 8
ID FL2F9ANS0002
KNApSAcK_ID C00008392
NAME 5,8,4'-Trihydroxyflavanone
CAS_RN 123067-25-4
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc2)C(=O)1
M END
