Mol:FL5FFANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0915 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0915 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0915 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0915 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9789 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9789 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9789 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9789 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8663 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8663 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8663 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8663 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3102 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3102 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2568 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2568 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8238 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8238 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2568 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2568 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3102 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3102 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6483 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6483 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2865 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2865 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5352 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5352 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3906 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3906 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9562 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9562 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6483 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6483 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0851 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0851 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2571 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2571 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8205 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8205 1.9451 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 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -2.2571 1.0455 | + | M SVB 1 29 -2.2571 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANI0001 | + | ID FL5FFANI0001 |
| − | KNApSAcK_ID C00005005 | + | KNApSAcK_ID C00005005 |
| − | NAME 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone | + | NAME 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone |
| − | CAS_RN 160036-24-8 | + | CAS_RN 160036-24-8 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(C(c(c21)c(cc(c1OC)O)O)=O)O | + | SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(C(c(c21)c(cc(c1OC)O)O)=O)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/
28 30 0 0 0 0 0 0 0 0999 V2000
-3.0915 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0915 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9789 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9789 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8663 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8663 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2568 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8238 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2568 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6483 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2865 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9562 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6483 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0851 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2571 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 1.9451 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
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -2.2571 1.0455
S SKP 8
ID FL5FFANI0001
KNApSAcK_ID C00005005
NAME 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone
CAS_RN 160036-24-8
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(C(c(c21)c(cc(c1OC)O)O)=O)O
M END
