Mol:FLIAG8NS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1231 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6794 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6794 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6793 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6793 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1230 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1230 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0105 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0105 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0105 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5668 -2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5668 -2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1615 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1615 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0280 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0280 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0280 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0280 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2355 -1.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2355 -1.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5280 -4.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5280 -4.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8378 0.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8378 0.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9809 -0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9809 -0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6823 -3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6823 -3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6809 -3.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6809 -3.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0659 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0659 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7658 0.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7658 0.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2657 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2657 1.5070 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -2.2825 1.1685 | + | M SVB 4 28 -2.2825 1.1685 |
| − | 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 -1.091 1.4439 | + | M SVB 3 26 -1.091 1.4439 |
| − | 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 1.7479 0.5137 | + | M SVB 2 24 1.7479 0.5137 |
| − | 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 -2.6398 -0.0012 | + | M SVB 1 22 -2.6398 -0.0012 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAG8NS0001 | + | ID FLIAG8NS0001 |
| − | KNApSAcK_ID C00009869 | + | KNApSAcK_ID C00009869 |
| − | NAME 5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone | + | NAME 5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone |
| − | CAS_RN 129724-36-3 | + | CAS_RN 129724-36-3 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c(C(C2=O)=COc(c3OC)c(c(c(c3OC)OC)O)2)1)(OC)c(O)ccc1 | + | SMILES c(c(C(C2=O)=COc(c3OC)c(c(c(c3OC)OC)O)2)1)(OC)c(O)ccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.1231 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6793 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1230 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -2.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5668 -2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 -3.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0280 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2355 -1.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5280 -4.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8378 0.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9809 -0.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6823 -3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6809 -3.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0659 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7658 0.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2657 1.5070 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -2.2825 1.1685
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 -1.091 1.4439
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 1.7479 0.5137
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 -2.6398 -0.0012
S SKP 8
ID FLIAG8NS0001
KNApSAcK_ID C00009869
NAME 5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone
CAS_RN 129724-36-3
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(C(C2=O)=COc(c3OC)c(c(c(c3OC)OC)O)2)1)(OC)c(O)ccc1
M END
