Mol:FLIA3CNS0004
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2358 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -1.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -1.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7919 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4015 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4015 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9650 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9650 2.3436 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 |
| − | 14 19 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 21 15 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 |
| − | 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 -1.4015 1.4439 | + | M SVB 1 25 -1.4015 1.4439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3CNS0004 | + | ID FLIA3CNS0004 |
| − | KNApSAcK_ID C00009821 | + | KNApSAcK_ID C00009821 |
| − | NAME Maximaisoflavone E | + | NAME Maximaisoflavone E |
| − | CAS_RN 94413-09-9 | + | CAS_RN 94413-09-9 |
| − | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
| − | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
| − | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
| − | SMILES COc(c(O)4)c(O3)c(cc4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1 | + | SMILES COc(c(O)4)c(O3)c(cc4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)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 26 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -1.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9650 2.3436 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
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 -1.4015 1.4439
S SKP 8
ID FLIA3CNS0004
KNApSAcK_ID C00009821
NAME Maximaisoflavone E
CAS_RN 94413-09-9
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c(O)4)c(O3)c(cc4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M END
