Mol:FL3FAANI0005
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 |
| − | -0.0036 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0036 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0036 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0036 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7180 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7180 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4325 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4325 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4325 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4325 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7180 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7180 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7109 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7109 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4254 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4254 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4254 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4254 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7109 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7109 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1398 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1398 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8543 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8543 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5688 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5688 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5688 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5688 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8543 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8543 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1398 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1398 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7109 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7109 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2833 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2833 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1470 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1470 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7180 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7180 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1470 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1470 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8603 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8603 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8603 0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8603 0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2833 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2833 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.8514 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANI0005 | + | ID FL3FAANI0005 |
| − | KNApSAcK_ID C00013405 | + | KNApSAcK_ID C00013405 |
| − | NAME Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 487010-53-7 | + | CAS_RN 487010-53-7 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES CC(=C)C(O)Cc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1 | + | SMILES CC(=C)C(O)Cc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1 |
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
-0.0036 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7180 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7180 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8543 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8543 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2833 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7180 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8603 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8603 0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2833 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.8514 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
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 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
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 2 0 0 0 0
S SKP 8
ID FL3FAANI0005
KNApSAcK_ID C00013405
NAME Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 487010-53-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES CC(=C)C(O)Cc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1
M END
