Mol:FL5FDDNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8250 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8250 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8250 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8250 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2876 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2876 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9563 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9563 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5232 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5232 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5232 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5232 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9563 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9563 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3819 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3819 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0902 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0902 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9633 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9633 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1008 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1008 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6570 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6570 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1260 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1260 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2662 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2662 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1323 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1323 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8066 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8066 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2480 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2480 2.6397 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 2.8066 1.7424 | + | M SVB 2 30 2.8066 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.6104 -0.9641 | + | M SVB 1 28 1.6104 -0.9641 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNI0003 | + | ID FL5FDDNI0003 |
| − | KNApSAcK_ID C00005008 | + | KNApSAcK_ID C00005008 |
| − | NAME 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone | + | NAME 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone |
| − | CAS_RN 53766-24-8 | + | CAS_RN 53766-24-8 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(c(OCC=C(C)C)3)c(c2c(c3)O)OC(=C(C(=O)2)OC)c(c1)cc(OC)c(O)c1 | + | SMILES c(c(OCC=C(C)C)3)c(c2c(c3)O)OC(=C(C(=O)2)OC)c(c1)cc(OC)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-0.8250 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2876 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9563 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9563 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0902 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6570 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2662 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1323 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8066 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2480 2.6397 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
3 19 1 0 0 0 0
15 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 2.8066 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.6104 -0.9641
S SKP 8
ID FL5FDDNI0003
KNApSAcK_ID C00005008
NAME 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone
CAS_RN 53766-24-8
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c(OCC=C(C)C)3)c(c2c(c3)O)OC(=C(C(=O)2)OC)c(c1)cc(OC)c(O)c1
M END
