Mol:FL2FA8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9629 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2516 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2516 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5192 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5192 0.1451 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NS0003 | + | ID FL2FA8NS0003 |
| − | KNApSAcK_ID C00008354 | + | KNApSAcK_ID C00008354 |
| − | NAME 5,7,2',5'-Tetrahydroxyflavanone | + | NAME 5,7,2',5'-Tetrahydroxyflavanone |
| − | CAS_RN 74175-75-0 | + | CAS_RN 74175-75-0 |
| − | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
| − | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
| − | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
| − | SMILES Oc(c3)cc(c(O)c3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | + | SMILES Oc(c3)cc(c(O)c3)C(C1)Oc(c2)c(c(O)cc(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/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9629 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2516 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.1451 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
16 20 1 0 0 0 0
13 21 1 0 0 0 0
S SKP 8
ID FL2FA8NS0003
KNApSAcK_ID C00008354
NAME 5,7,2',5'-Tetrahydroxyflavanone
CAS_RN 74175-75-0
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)cc(c(O)c3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
