Mol:FL5FDCNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2827 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2827 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6400 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6400 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6400 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1400 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1400 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8085 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6746 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6746 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1629 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1629 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 -1.4198 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 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -2.1629 -1.0073 | + | M SVB 3 28 -2.1629 -1.0073 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.1527 -0.7106 | + | M SVB 2 26 0.1527 -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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.64 0.7355 | + | M SVB 1 24 -2.64 0.7355 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNS0005 | + | ID FL5FDCNS0005 |
| − | KNApSAcK_ID C00005048 | + | KNApSAcK_ID C00005048 |
| − | NAME Isokanugin;3,5,7-Trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one | + | NAME Isokanugin;3,5,7-Trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 4494-27-3 | + | CAS_RN 4494-27-3 |
| − | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
| − | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
| − | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
| − | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.2827 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1400 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1629 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 -1.4198 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
8 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.1629 -1.0073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.1527 -0.7106
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.64 0.7355
S SKP 8
ID FL5FDCNS0005
KNApSAcK_ID C00005048
NAME Isokanugin;3,5,7-Trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 4494-27-3
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)c1
M END
