Mol:FL5FFCNI0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0723 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0723 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0723 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0723 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5160 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5160 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0403 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0403 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0403 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0403 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5160 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5160 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5966 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5966 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1529 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1529 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1529 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1529 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5966 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5966 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5966 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5966 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7090 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7090 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2760 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2760 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8429 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8429 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8429 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8429 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2760 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2760 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7090 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7090 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4656 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4656 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8504 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8504 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4656 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4656 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6284 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6284 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1845 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1845 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7406 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7406 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2955 0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2955 0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8504 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8504 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2955 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2955 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9524 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9524 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2380 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2380 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0189 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0189 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8850 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8850 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2380 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2380 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1984 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1984 1.9107 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 34 -0.238 1.011 | + | M SVB 3 34 -0.238 1.011 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 32 1.3632 -0.7106 | + | M SVB 2 32 1.3632 -0.7106 |
| − | 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 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 -0.9524 -1.0073 | + | M SVB 1 30 -0.9524 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0007 | + | ID FL5FFCNI0007 |
| − | KNApSAcK_ID C00005059 | + | KNApSAcK_ID C00005059 |
| − | NAME 3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,8-trimethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one | + | NAME 3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,8-trimethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 114371-88-9 | + | CAS_RN 114371-88-9 |
| − | FORMULA C24H24O8 | + | FORMULA C24H24O8 |
| − | EXACTMASS 440.14711774399996 | + | EXACTMASS 440.14711774399996 |
| − | AVERAGEMASS 440.44256 | + | AVERAGEMASS 440.44256 |
| − | SMILES O(c14)COc1cc(cc4)C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC | + | SMILES O(c14)COc1cc(cc4)C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.0723 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5160 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0403 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0403 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5160 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7090 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8429 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8429 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7090 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8504 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6284 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1845 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2955 0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8504 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2955 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9524 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2380 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0189 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8850 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2380 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1984 1.9107 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 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
3 27 1 0 0 0 0
27 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
6 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 OCH3
M SVB 3 34 -0.238 1.011
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 1.3632 -0.7106
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -0.9524 -1.0073
S SKP 8
ID FL5FFCNI0007
KNApSAcK_ID C00005059
NAME 3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,8-trimethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 114371-88-9
FORMULA C24H24O8
EXACTMASS 440.14711774399996
AVERAGEMASS 440.44256
SMILES O(c14)COc1cc(cc4)C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC
M END
