Mol:FLIA1LNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3657 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3657 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3657 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3657 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8094 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8094 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2531 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2531 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2531 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2531 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8094 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8094 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6968 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6968 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1405 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1405 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1405 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1405 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6968 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6968 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4156 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4156 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4156 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4156 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6052 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6052 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6052 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6052 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6968 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6968 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9218 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9218 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6052 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6052 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2000 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2000 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2000 -0.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2000 -0.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2000 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2000 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9218 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9218 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0007 | + | ID FLIA1LNP0007 |
| − | KNApSAcK_ID C00009871 | + | KNApSAcK_ID C00009871 |
| − | NAME Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone | + | NAME Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone |
| − | CAS_RN 116109-15-4 | + | CAS_RN 116109-15-4 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O | + | SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=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/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.3657 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3657 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8094 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8094 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6968 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6968 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6968 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9218 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -0.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 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 2 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
16 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FLIA1LNP0007
KNApSAcK_ID C00009871
NAME Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone
CAS_RN 116109-15-4
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O
M END
