Mol:FL5FE9NS0010
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.4634 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4634 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4634 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4634 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9071 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9071 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3508 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3508 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3508 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3508 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9071 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9071 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2055 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2055 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7618 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7618 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7618 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7618 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2055 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2055 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2055 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2055 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3179 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3179 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4519 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4519 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4519 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4519 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3179 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3179 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0743 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0743 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4519 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4519 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0743 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0743 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3435 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3435 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6290 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6290 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6278 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6278 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4939 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4939 -1.5255 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 |
| − | 1 18 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 |
| − | 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 0.9721 -0.7106 | + | M SVB 2 26 0.9721 -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 -1.3435 -1.0073 | + | M SVB 1 24 -1.3435 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FE9NS0010 | + | ID FL5FE9NS0010 |
| − | KNApSAcK_ID C00005044 | + | KNApSAcK_ID C00005044 |
| − | NAME 3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one | + | NAME 3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one |
| − | CAS_RN 72357-36-9 | + | CAS_RN 72357-36-9 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c12)c(O3)c(C(C(=C(c(c4)cccc4)3)OC)=O)c(c1OCO2)OC | + | SMILES c(c12)c(O3)c(C(C(=C(c(c4)cccc4)3)OC)=O)c(c1OCO2)OC |
M END | M END | ||
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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
-1.4634 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4634 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3508 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3508 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2055 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4519 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4519 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0743 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0743 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6290 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4939 -1.5255 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
3 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
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 0.9721 -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 -1.3435 -1.0073
S SKP 8
ID FL5FE9NS0010
KNApSAcK_ID C00005044
NAME 3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS_RN 72357-36-9
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c12)c(O3)c(C(C(=C(c(c4)cccc4)3)OC)=O)c(c1OCO2)OC
M END
