Mol:FLIABANI0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8846 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8846 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -1.6635 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -5.4274 4.3325 | + | M SBV 1 27 -5.4274 4.3325 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABANI0001 | + | ID FLIABANI0001 |
| − | KNApSAcK_ID C00009898 | + | KNApSAcK_ID C00009898 |
| − | NAME 5-O-Methyllupiwighteone;7,4'-Dihydroxy-5-methoxy-8-prenylisoflavone | + | NAME 5-O-Methyllupiwighteone;7,4'-Dihydroxy-5-methoxy-8-prenylisoflavone |
| − | CAS_RN 104703-98-2 | + | CAS_RN 104703-98-2 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES COc(c31)cc(c(CC=C(C)C)c1OC=C(C3=O)c(c2)ccc(O)c2)O | + | SMILES COc(c31)cc(c(CC=C(C)C)c1OC=C(C3=O)c(c2)ccc(O)c2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -1.6635 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
14 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -5.4274 4.3325
S SKP 8
ID FLIABANI0001
KNApSAcK_ID C00009898
NAME 5-O-Methyllupiwighteone;7,4'-Dihydroxy-5-methoxy-8-prenylisoflavone
CAS_RN 104703-98-2
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES COc(c31)cc(c(CC=C(C)C)c1OC=C(C3=O)c(c2)ccc(O)c2)O
M END
