Mol:FLIA3LNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4135 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4135 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0083 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0083 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0083 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0083 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4135 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4135 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5187 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5187 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5563 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5563 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2393 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2393 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5187 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5187 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7106 0.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7106 0.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4251 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4251 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6916 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6916 2.7153 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.1282 1.8157 | + | M SVB 2 27 -1.1282 1.8157 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 1.7106 0.8855 | + | M SVB 1 25 1.7106 0.8855 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3LNS0002 | + | ID FLIA3LNS0002 |
| − | KNApSAcK_ID C00009824 | + | KNApSAcK_ID C00009824 |
| − | NAME Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel | + | NAME Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel |
| − | CAS_RN 94413-11-3 | + | CAS_RN 94413-11-3 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c34)c(c(OC)cc3OCO4)C(C1=O)=COc(c(OC)2)c1ccc2O | + | SMILES c(c34)c(c(OC)cc3OCO4)C(C1=O)=COc(c(OC)2)c1ccc2O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.9626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4135 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0083 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0083 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4135 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5187 1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5563 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2393 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5187 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 0.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4251 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 2.7153 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 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
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -1.1282 1.8157
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 1.7106 0.8855
S SKP 8
ID FLIA3LNS0002
KNApSAcK_ID C00009824
NAME Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel
CAS_RN 94413-11-3
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c34)c(c(OC)cc3OCO4)C(C1=O)=COc(c(OC)2)c1ccc2O
M END
