Mol:FL5FFANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0915 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0915 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0915 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0915 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9789 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9789 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9789 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9789 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8663 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8663 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8663 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8663 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 0.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 0.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 -1.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 -1.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3102 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3102 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2568 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2568 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2568 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2568 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3102 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3102 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6483 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6483 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2865 -0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2865 -0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -1.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -1.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3906 1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3906 1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9562 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9562 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6483 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6483 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2986 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2986 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8833 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8833 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4668 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4668 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0503 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0503 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4668 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4668 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2571 1.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2571 1.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8205 2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8205 2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -2.2571 1.2225 | + | M SVB 1 34 -2.2571 1.2225 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANI0003 | + | ID FL5FFANI0003 |
| − | KNApSAcK_ID C00005007 | + | KNApSAcK_ID C00005007 |
| − | NAME 5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone | + | NAME 5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone |
| − | CAS_RN 160036-22-6 | + | CAS_RN 160036-22-6 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(OCC=C(C)C)C(c(c21)c(cc(O)c1OC)O)=O | + | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(OCC=C(C)C)C(c(c21)c(cc(O)c1OC)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-3.0915 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0915 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9789 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9789 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 -0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8663 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8663 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 0.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 -1.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2568 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2568 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6483 0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2865 -0.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -1.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9562 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 1.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6483 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2986 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0503 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2571 1.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
15 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
19 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
6 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -2.2571 1.2225
S SKP 8
ID FL5FFANI0003
KNApSAcK_ID C00005007
NAME 5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone
CAS_RN 160036-22-6
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(OCC=C(C)C)C(c(c21)c(cc(O)c1OC)O)=O
M END
