Mol:FLIAF8NS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1039 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8670 -0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8670 -0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9612 2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9612 2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2696 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2696 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8331 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8331 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0227 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0227 1.4050 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.5693 0.5137 | + | M SVB 3 26 1.5693 0.5137 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -1.2696 1.4439 | + | M SVB 2 24 -1.2696 1.4439 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.4612 1.1685 | + | M SVB 1 22 -2.4612 1.1685 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAF8NS0002 | + | ID FLIAF8NS0002 |
| − | KNApSAcK_ID C00009866 | + | KNApSAcK_ID C00009866 |
| − | NAME 5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone | + | NAME 5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone |
| − | CAS_RN 129724-34-1 | + | CAS_RN 129724-34-1 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1OC)(OC)cc(c(C2=O)c1OC=C(c(c(OC)3)cccc3O)2)O | + | SMILES c(c1OC)(OC)cc(c(C2=O)c1OC=C(c(c(OC)3)cccc3O)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8670 -0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9612 2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2696 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8331 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0227 1.4050 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.5693 0.5137
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -1.2696 1.4439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.4612 1.1685
S SKP 8
ID FLIAF8NS0002
KNApSAcK_ID C00009866
NAME 5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone
CAS_RN 129724-34-1
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(OC)cc(c(C2=O)c1OC=C(c(c(OC)3)cccc3O)2)O
M END
