Mol:FL2FDCNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4975 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4975 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4975 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4975 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7830 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7830 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0686 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0686 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0686 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0686 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7830 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7830 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3541 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3541 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3604 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3604 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3604 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3604 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3541 0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3541 0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1189 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1189 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8334 0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8334 0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5478 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5478 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5478 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5478 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8334 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8334 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1189 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1189 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3541 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3541 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1679 0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1679 0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8174 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8174 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7830 -1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7830 -1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3574 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3574 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3325 0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3325 0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8174 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8174 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3325 1.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3325 1.8281 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 14 1 0 0 0 0 | + | 24 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FDCNS0001 | + | ID FL2FDCNS0001 |
| − | KNApSAcK_ID C00014128 | + | KNApSAcK_ID C00014128 |
| − | NAME (2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone | + | NAME (2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| − | CAS_RN 610770-50-8 | + | CAS_RN 610770-50-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(C(c(c4)cc(c3c4)OCO3)2)c(c(C(=O)C2)1)cc(OC)cc1OC | + | SMILES O(C(c(c4)cc(c3c4)OCO3)2)c(c(C(=O)C2)1)cc(OC)cc1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.4975 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0686 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0686 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3541 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3541 0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8334 0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8334 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3541 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8174 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 -1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3574 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3325 0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8174 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3325 1.8281 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 14 1 0 0 0 0
S SKP 8
ID FL2FDCNS0001
KNApSAcK_ID C00014128
NAME (2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone
CAS_RN 610770-50-8
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C(c(c4)cc(c3c4)OCO3)2)c(c(C(=O)C2)1)cc(OC)cc1OC
M END
