Mol:FL5FEANI0002
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 |
| − | -3.0121 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0121 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0121 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0121 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4558 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4558 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8995 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8995 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8995 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8995 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4558 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4558 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3432 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3432 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7869 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7869 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7869 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7869 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3432 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3432 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3432 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3432 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2308 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2308 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3362 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3362 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9032 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9032 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9032 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9032 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3362 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3362 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2308 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2308 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5689 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5689 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4558 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4558 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4700 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4700 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0356 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0356 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6001 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6001 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1633 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1633 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1633 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1633 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7265 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7265 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0791 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0791 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9451 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9451 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6998 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6998 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0677 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0677 -0.8071 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 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 2 28 1 0 0 0 0 | + | 2 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 -3.7265 -0.3996 | + | M SVB 2 30 -3.7265 -0.3996 |
| − | 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 -0.5766 -0.6761 | + | M SVB 1 28 -0.5766 -0.6761 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEANI0002 | + | ID FL5FEANI0002 |
| − | KNApSAcK_ID C00004999 | + | KNApSAcK_ID C00004999 |
| − | NAME 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone | + | NAME 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone |
| − | CAS_RN 160036-23-7 | + | CAS_RN 160036-23-7 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES O(C(c(c3)ccc(OCC=C(C)C)c3)=2)c(c1)c(C(C2OC)=O)c(c(OC)c1O)O | + | SMILES O(C(c(c3)ccc(OCC=C(C)C)c3)=2)c(c1)c(C(C2OC)=O)c(c(OC)c1O)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/
29 31 0 0 0 0 0 0 0 0999 V2000
-3.0121 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0121 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3432 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5689 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4558 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0356 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6001 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1633 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7265 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9451 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6998 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0677 -0.8071 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
20 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
2 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 -3.7265 -0.3996
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 -0.5766 -0.6761
S SKP 8
ID FL5FEANI0002
KNApSAcK_ID C00004999
NAME 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone
CAS_RN 160036-23-7
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O(C(c(c3)ccc(OCC=C(C)C)c3)=2)c(c1)c(C(C2OC)=O)c(c(OC)c1O)O
M END
