Mol:FL5FFCNI0009
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3746 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3746 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3842 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3842 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3153 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3153 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0414 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0414 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0506 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0506 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3254 0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3254 0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4570 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4570 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7651 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7651 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0751 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0751 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8033 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8033 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8010 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8010 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0995 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0995 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2061 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2061 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1971 1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1971 1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4823 1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4823 1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7967 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7967 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0995 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0995 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3153 -1.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3153 -1.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7559 -1.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7559 -1.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5177 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5177 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9076 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9076 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9188 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9188 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2306 0.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2306 0.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0751 1.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0751 1.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6528 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6528 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5155 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5155 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2289 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2289 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9548 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9548 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9548 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9548 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6528 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6528 -0.6374 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 11 26 1 0 0 0 0 | + | 11 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0009 | + | ID FL5FFCNI0009 |
| − | KNApSAcK_ID C00013530 | + | KNApSAcK_ID C00013530 |
| − | NAME 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone | + | NAME 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H22O8 | + | FORMULA C22H22O8 |
| − | EXACTMASS 414.13146768 | + | EXACTMASS 414.13146768 |
| − | AVERAGEMASS 414.40528000000006 | + | AVERAGEMASS 414.40528000000006 |
| − | SMILES C(C)(C)=CCc(c3O)c(c(c(c23)OC(=C(C2=O)O)c(c1)cc(OC)c(O)c1)O)OC | + | SMILES C(C)(C)=CCc(c3O)c(c(c(c23)OC(=C(C2=O)O)c(c1)cc(OC)c(O)c1)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.3746 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3842 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3153 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0414 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0506 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3254 0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4570 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7651 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8033 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8010 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0995 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2061 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1971 1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7967 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0995 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3153 -1.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7559 -1.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5177 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9076 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9188 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2306 0.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 1.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6528 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5155 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2289 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9548 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9548 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6528 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
13 22 1 0 0 0 0
20 23 1 0 0 0 0
9 24 1 0 0 0 0
22 25 1 0 0 0 0
11 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL5FFCNI0009
KNApSAcK_ID C00013530
NAME 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
CAS_RN -
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES C(C)(C)=CCc(c3O)c(c(c(c23)OC(=C(C2=O)O)c(c1)cc(OC)c(O)c1)O)OC
M END
