Mol:FLIA2LNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5991 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5991 -1.6763 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 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 2.1039 -0.8826 | + | M SVB 2 24 2.1039 -0.8826 |
| − | 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 -2.8184 0.423 | + | M SVB 1 22 -2.8184 0.423 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2LNS0006 | + | ID FLIA2LNS0006 |
| − | KNApSAcK_ID C00009851 | + | KNApSAcK_ID C00009851 |
| − | NAME 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone | + | NAME 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone |
| − | CAS_RN 73354-23-1 | + | CAS_RN 73354-23-1 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1 | + | SMILES COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 1.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5991 -1.6763 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
1 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
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 2.1039 -0.8826
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 -2.8184 0.423
S SKP 8
ID FLIA2LNS0006
KNApSAcK_ID C00009851
NAME 7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
CAS_RN 73354-23-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M END
