Mol:FL3F2CNS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 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 |
| − | -2.7166 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7166 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0021 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0021 -0.8828 0.0000 C 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 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 -7.3325 3.1008 | + | M SBV 1 24 -7.3325 3.1008 |
| − | 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 SBV 2 26 -6.6809 3.3796 | + | M SBV 2 26 -6.6809 3.3796 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F2CNS0002 | + | ID FL3F2CNS0002 |
| − | KNApSAcK_ID C00003999 | + | KNApSAcK_ID C00003999 |
| − | NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 55303-89-4 | + | CAS_RN 55303-89-4 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)=CC1=O | + | SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)=CC1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 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
-2.7166 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 -0.8828 0.0000 C 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
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 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 -7.3325 3.1008
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 SBV 2 26 -6.6809 3.3796
S SKP 8
ID FL3F2CNS0002
KNApSAcK_ID C00003999
NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 55303-89-4
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)=CC1=O
M END
