Mol:FL3F29NF0001
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 |
| − | 0.7097 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7097 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7097 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7097 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0048 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0048 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7192 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7192 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7192 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7192 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0048 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0048 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4242 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4242 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1386 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1386 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1386 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1386 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4242 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4242 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8531 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8531 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5676 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5676 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2821 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2821 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2821 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2821 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5676 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5676 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8531 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8531 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4242 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4242 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1763 1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1763 1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9968 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9968 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3323 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3323 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4325 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4325 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1458 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1458 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5700 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5700 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2821 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2821 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5700 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5700 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 4 1 0 0 0 0 | + | 20 4 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 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 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F29NF0001 | + | ID FL3F29NF0001 |
| − | KNApSAcK_ID C00013427 | + | KNApSAcK_ID C00013427 |
| − | NAME Ovalifolin;6-[(3-Methyl-2-butenyl)oxy]-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Ovalifolin;6-[(3-Methyl-2-butenyl)oxy]-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 55303-88-3 | + | CAS_RN 55303-88-3 |
| − | FORMULA C22H18O4 | + | FORMULA C22H18O4 |
| − | EXACTMASS 346.120509064 | + | EXACTMASS 346.120509064 |
| − | AVERAGEMASS 346.37592 | + | AVERAGEMASS 346.37592 |
| − | SMILES c(c4)(cccc4)C(O1)=CC(c(c3)c1c(c2)c(c3OCC=C(C)C)oc2)=O | + | SMILES c(c4)(cccc4)C(O1)=CC(c(c3)c1c(c2)c(c3OCC=C(C)C)oc2)=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 29 0 0 0 0 0 0 0 0999 V2000
0.7097 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7192 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5676 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2821 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2821 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5676 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1763 1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9968 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5700 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2821 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5700 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 4 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL3F29NF0001
KNApSAcK_ID C00013427
NAME Ovalifolin;6-[(3-Methyl-2-butenyl)oxy]-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 55303-88-3
FORMULA C22H18O4
EXACTMASS 346.120509064
AVERAGEMASS 346.37592
SMILES c(c4)(cccc4)C(O1)=CC(c(c3)c1c(c2)c(c3OCC=C(C)C)oc2)=O
M END
