Mol:FL3F1CNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0021 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0021 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0021 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0021 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8895 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8895 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8895 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8895 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4458 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4458 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2231 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2231 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2231 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2231 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3332 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3332 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7792 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7792 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3462 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3462 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9131 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9131 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9131 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9131 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3462 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3462 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7792 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7792 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5198 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5198 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4666 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4666 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0650 0.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0650 0.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8619 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8619 0.6643 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 |
| − | 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 SBV 1 24 -6.6809 3.3796 | + | M SBV 1 24 -6.6809 3.3796 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1CNS0005 | + | ID FL3F1CNS0005 |
| − | KNApSAcK_ID C00003997 | + | KNApSAcK_ID C00003997 |
| − | NAME 7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one | + | NAME 7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 58996-65-9 | + | CAS_RN 58996-65-9 |
| − | FORMULA C17H12O5 | + | FORMULA C17H12O5 |
| − | EXACTMASS 296.068473494 | + | EXACTMASS 296.068473494 |
| − | AVERAGEMASS 296.27418 | + | AVERAGEMASS 296.27418 |
| − | SMILES COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2 | + | SMILES COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.0021 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0650 0.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8619 0.6643 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
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 SBV 1 24 -6.6809 3.3796
S SKP 8
ID FL3F1CNS0005
KNApSAcK_ID C00003997
NAME 7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 58996-65-9
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2
M END
