Mol:FL2FE8NS0004
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 |
| − | -1.8879 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8879 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8879 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8879 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4590 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4590 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4590 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4590 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2555 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2555 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9700 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9700 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9700 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9700 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2555 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2555 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7285 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7285 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4430 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4430 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1574 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1574 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1574 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1574 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4430 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4430 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7285 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7285 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2555 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2555 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4430 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4430 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6725 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6725 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1574 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1574 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6725 -0.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6725 -0.9359 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 20 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0004 | + | ID FL2FE8NS0004 |
| − | KNApSAcK_ID C00014115 | + | KNApSAcK_ID C00014115 |
| − | NAME 5,2'-Dihydroxy-6,7-methylenedioxyflavanone | + | NAME 5,2'-Dihydroxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 188440-65-5 | + | CAS_RN 188440-65-5 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c4)c(ccc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1 | + | SMILES Oc(c4)c(ccc4)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/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.8879 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4590 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4590 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1574 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1574 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 -0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1574 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 -0.9359 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 6 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
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
S SKP 8
ID FL2FE8NS0004
KNApSAcK_ID C00014115
NAME 5,2'-Dihydroxy-6,7-methylenedioxyflavanone
CAS_RN 188440-65-5
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)c(ccc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1
M END
