Mol:FL1CHYNI0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2504 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2504 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2504 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2504 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6941 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6941 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1378 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1378 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1378 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1378 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6941 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6941 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5815 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5815 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0252 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0252 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5309 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5309 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0870 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0870 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6480 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6480 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2090 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2090 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2090 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2090 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6480 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6480 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0870 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0870 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5815 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5815 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5309 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5309 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8067 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8067 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8067 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8067 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3628 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3628 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9177 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9177 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3628 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3628 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8065 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8065 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5817 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5817 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7698 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7698 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3438 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3438 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1959 -0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1959 -0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9177 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9177 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3438 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3438 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0005 | + | ID FL1CHYNI0005 |
| − | KNApSAcK_ID C00007010 | + | KNApSAcK_ID C00007010 |
| − | NAME Glyinflanin E | + | NAME Glyinflanin E |
| − | CAS_RN 164123-51-7 | + | CAS_RN 164123-51-7 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(C(C=C(O)c(c2)cc(c(O)c2)CC(O)C(C)=C)=O)(c1O)cc(c(c1)O)CC=C(C)C | + | SMILES c(C(C=C(O)c(c2)cc(c(O)c2)CC(O)C(C)=C)=O)(c1O)cc(c(c1)O)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
-2.2504 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2504 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5815 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0252 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5815 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8067 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8067 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3628 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9177 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3628 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8065 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5817 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 -0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9177 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
20 2 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
5 26 1 0 0 0 0
19 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
28 30 2 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL1CHYNI0005
KNApSAcK_ID C00007010
NAME Glyinflanin E
CAS_RN 164123-51-7
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(C(C=C(O)c(c2)cc(c(O)c2)CC(O)C(C)=C)=O)(c1O)cc(c(c1)O)CC=C(C)C
M END
