Mol:FLIBALNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3827 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3827 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3827 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3827 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8264 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8264 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2701 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2701 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2701 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2701 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8264 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8264 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7138 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7138 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1575 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1575 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1575 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1575 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7138 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7138 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3986 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3986 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3986 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3986 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9934 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5882 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5882 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5882 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5882 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9934 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7138 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7138 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 1.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 1.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8264 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8264 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9934 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5882 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5882 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1830 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1830 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1830 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1830 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9388 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9388 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3640 -1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3640 -1.8386 0.0000 C 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNP0001 | + | ID FLIBALNP0001 |
| − | KNApSAcK_ID C00009557 | + | KNApSAcK_ID C00009557 |
| − | NAME Licoisoflavanone | + | NAME Licoisoflavanone |
| − | CAS_RN 66067-26-3 | + | CAS_RN 66067-26-3 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(CO3)c(c2O)ccc(c21)OC(C=C1)(C)C | + | SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(CO3)c(c2O)ccc(c21)OC(C=C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.3827 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7138 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7138 1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5882 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5882 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7138 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 1.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 -0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5882 -1.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9388 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3640 -1.8386 0.0000 C 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 2 0 0 0 0
12 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 2 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
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIBALNP0001
KNApSAcK_ID C00009557
NAME Licoisoflavanone
CAS_RN 66067-26-3
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(CO3)c(c2O)ccc(c21)OC(C=C1)(C)C
M END
