Mol:FLIBALNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0022 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0022 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8896 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8896 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8896 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8896 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4459 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4459 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2230 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2230 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2230 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2230 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7791 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7791 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7791 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7791 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3333 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3333 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5583 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5583 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5583 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5583 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6710 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6710 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3855 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3855 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8823 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8823 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1678 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1678 -0.7004 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 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 |
| − | 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -5.0628 5.6071 | + | M SBV 1 22 -5.0628 5.6071 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -5.7963 4.8626 | + | M SBV 2 24 -5.7963 4.8626 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNS0007 | + | ID FLIBALNS0007 |
| − | KNApSAcK_ID C00009954 | + | KNApSAcK_ID C00009954 |
| − | NAME 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone | + | NAME 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone |
| − | CAS_RN 99965-02-3 | + | CAS_RN 99965-02-3 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)c(ccc(O)3)C(C2)C(=O)c(c(OC)1)c(O2)cc(O)c1 | + | SMILES COc(c3)c(ccc(O)3)C(C2)C(=O)c(c(OC)1)c(O2)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0022 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8896 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4459 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7791 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3333 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5583 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6710 0.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3855 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8823 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1678 -0.7004 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 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
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -5.0628 5.6071
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -5.7963 4.8626
S SKP 8
ID FLIBALNS0007
KNApSAcK_ID C00009954
NAME 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
CAS_RN 99965-02-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(ccc(O)3)C(C2)C(=O)c(c(OC)1)c(O2)cc(O)c1
M END
