Mol:FL4DG9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1323 -0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1323 -0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4197 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4197 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1292 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1292 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4124 -1.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4124 -1.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6998 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6998 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7034 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7034 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0165 -1.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0165 -1.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7292 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7292 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7255 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7255 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0092 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0092 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3793 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3793 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0953 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0953 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8082 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8082 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8050 0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8050 0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0890 1.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0890 1.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3761 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3761 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4124 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4124 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3070 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3070 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4003 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4003 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4197 0.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4197 0.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1207 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1207 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0890 1.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0890 1.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7732 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7732 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9179 -0.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9179 -0.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4003 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4003 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9179 -1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9179 -1.4681 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 3 1 0 0 0 0 | + | 27 3 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DG9NS0001 | + | ID FL4DG9NS0001 |
| − | KNApSAcK_ID C00014373 | + | KNApSAcK_ID C00014373 |
| − | NAME Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone | + | NAME Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 155521-00-9 | + | CAS_RN 155521-00-9 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES O(C(c(c4)cc(OC)cc(O)4)3)c(c2OC)c(C(C3O)=O)c(c(c21)OCO1)O | + | SMILES O(C(c(c4)cc(OC)cc(O)4)3)c(c2OC)c(C(C3O)=O)c(c(c21)OCO1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1323 -0.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4197 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 -1.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7034 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0165 -1.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7292 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0953 -0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8050 0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 1.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3761 0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 -1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4003 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4197 0.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1207 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 1.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 -0.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4003 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 -1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
8 19 1 0 0 0 0
13 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 3 1 0 0 0 0
S SKP 8
ID FL4DG9NS0001
KNApSAcK_ID C00014373
NAME Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone
CAS_RN 155521-00-9
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES O(C(c(c4)cc(OC)cc(O)4)3)c(c2OC)c(C(C3O)=O)c(c(c21)OCO1)O
M END
