Mol:FLII1ANI0001
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 |
| − | -2.6981 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6981 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6981 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6981 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1418 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1418 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5855 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5855 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5855 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5855 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1418 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1418 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0292 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0292 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4729 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4729 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0832 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0832 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0832 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0832 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6780 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6780 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2728 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2728 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2728 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2728 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6780 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6780 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0275 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0275 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0294 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0294 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0554 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0554 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5554 1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5554 1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1949 0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1949 0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2416 1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2416 1.2797 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 2 0 0 0 0 | + | 7 8 2 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 11 2 0 0 0 0 | + | 10 11 2 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 9 2 0 0 0 0 | + | 14 9 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 10 16 1 0 0 0 0 | + | 10 16 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -0.1949 0.38 | + | M SVB 2 27 -0.1949 0.38 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -3.0554 1.0681 | + | M SVB 1 25 -3.0554 1.0681 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1ANI0001 | + | ID FLII1ANI0001 |
| − | KNApSAcK_ID C00009809 | + | KNApSAcK_ID C00009809 |
| − | NAME Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran | + | NAME Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran |
| − | CAS_RN 76869-00-6 | + | CAS_RN 76869-00-6 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES O(C)c(c23)c(oc(cc(O)c(c3)CC=C(C)C)2)c(c1)c(cc(OC)c1)O | + | SMILES O(C)c(c23)c(oc(cc(O)c(c3)CC=C(C)C)2)c(c1)c(cc(OC)c1)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
-2.6981 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6981 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5855 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5855 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0292 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0832 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0832 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6780 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2728 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2728 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6780 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0275 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0294 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0554 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5554 1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2416 1.2797 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 9 2 0 0 0 0
1 2 1 0 0 0 0
12 15 1 0 0 0 0
7 16 1 0 0 0 0
10 16 1 0 0 0 0
5 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -0.1949 0.38
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -3.0554 1.0681
S SKP 8
ID FLII1ANI0001
KNApSAcK_ID C00009809
NAME Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran
CAS_RN 76869-00-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES O(C)c(c23)c(oc(cc(O)c(c3)CC=C(C)C)2)c(c1)c(cc(OC)c1)O
M END
