Mol:FL4DE9NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3735 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3735 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8527 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8527 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3318 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3318 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3318 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3318 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8527 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8527 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3735 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3735 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7100 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7100 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7100 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7100 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7647 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7647 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2991 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2991 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2991 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2991 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7647 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7647 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8527 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8527 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9456 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9456 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2991 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2991 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9456 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9456 -0.6488 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DE9NS0002 | + | ID FL4DE9NS0002 |
| − | KNApSAcK_ID C00008598 | + | KNApSAcK_ID C00008598 |
| − | NAME 3,5-Dihydroxy-6,7-methylenedioxyflavanone | + | NAME 3,5-Dihydroxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 110204-44-9 | + | CAS_RN 110204-44-9 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES c(c4)ccc(c4)C(O1)C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 | + | SMILES c(c4)ccc(c4)C(O1)C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.3735 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 -0.6488 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
8 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
S SKP 8
ID FL4DE9NS0002
KNApSAcK_ID C00008598
NAME 3,5-Dihydroxy-6,7-methylenedioxyflavanone
CAS_RN 110204-44-9
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES c(c4)ccc(c4)C(O1)C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1
M END
