Mol:FLIAALNS0008
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 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9840 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9840 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2696 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2696 -0.8491 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 |
| − | 3 22 1 0 0 0 0 | + | 3 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 -1.984 -0.4366 | + | M SVB 2 24 -1.984 -0.4366 |
| − | 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 1.3062 | + | M SVB 1 22 -2.4612 1.3062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNS0008 | + | ID FLIAALNS0008 |
| − | KNApSAcK_ID C00009846 | + | KNApSAcK_ID C00009846 |
| − | NAME 2',4'-Dihydroxy-5,7-dimethoxyisoflavone | + | NAME 2',4'-Dihydroxy-5,7-dimethoxyisoflavone |
| − | CAS_RN 131862-36-7 | + | CAS_RN 131862-36-7 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1 | + | SMILES COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1 |
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 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9612 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2696 -0.8491 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
14 18 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
3 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 -1.984 -0.4366
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 1.3062
S SKP 8
ID FLIAALNS0008
KNApSAcK_ID C00009846
NAME 2',4'-Dihydroxy-5,7-dimethoxyisoflavone
CAS_RN 131862-36-7
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1
M END
