Mol:FL5FFCNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0907 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0907 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0907 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0907 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5344 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5344 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9781 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9781 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9781 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9781 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5344 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5344 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4218 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4218 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8655 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8655 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4218 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4218 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4218 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4218 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3094 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2576 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2576 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8246 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8246 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8246 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8246 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2576 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2576 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3094 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5344 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5344 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6906 1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6906 1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6468 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6468 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9570 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9570 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5215 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5215 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0847 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0847 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6468 1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6468 1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0847 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0847 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0005 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0005 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8666 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8666 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2563 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2563 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8197 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8197 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5410 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5410 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9824 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9824 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 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 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 30 31 | + | M SAL 3 2 30 31 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 32 0.541 1.7424 | + | M SVB 3 32 0.541 1.7424 |
| − | 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 -2.2563 0.7574 | + | M SVB 2 30 -2.2563 0.7574 |
| − | 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 -0.6552 -0.9641 | + | M SVB 1 28 -0.6552 -0.9641 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0005 | + | ID FL5FFCNI0005 |
| − | KNApSAcK_ID C00005028 | + | KNApSAcK_ID C00005028 |
| − | NAME 5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone | + | NAME 5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone |
| − | CAS_RN 160036-31-7 | + | CAS_RN 160036-31-7 |
| − | FORMULA C23H24O8 | + | FORMULA C23H24O8 |
| − | EXACTMASS 428.14711774399996 | + | EXACTMASS 428.14711774399996 |
| − | AVERAGEMASS 428.43186000000003 | + | AVERAGEMASS 428.43186000000003 |
| − | SMILES O=C(c21)C(OC)=C(c(c3)cc(OC)c(OCC=C(C)C)c3)Oc1c(OC)c(cc2O)O | + | SMILES O=C(c21)C(OC)=C(c(c3)cc(OC)c(OCC=C(C)C)c3)Oc1c(OC)c(cc2O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-3.0907 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0907 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9781 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9781 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2576 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8246 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8246 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2576 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 1.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6468 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9570 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6468 1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8666 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2563 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8197 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9824 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
19 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
6 28 1 0 0 0 0
28 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 30 31
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 0.541 1.7424
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 -2.2563 0.7574
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 -0.6552 -0.9641
S SKP 8
ID FL5FFCNI0005
KNApSAcK_ID C00005028
NAME 5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone
CAS_RN 160036-31-7
FORMULA C23H24O8
EXACTMASS 428.14711774399996
AVERAGEMASS 428.43186000000003
SMILES O=C(c21)C(OC)=C(c(c3)cc(OC)c(OCC=C(C)C)c3)Oc1c(OC)c(cc2O)O
M END
