Mol:FLIAAANP0016
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4473 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4473 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4473 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4473 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3347 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3347 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3347 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3347 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2216 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2216 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2216 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2216 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3340 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3340 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3340 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3340 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9288 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9288 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5236 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5236 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5236 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5236 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9288 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9288 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2216 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2216 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0034 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0034 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0034 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0034 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5583 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5583 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5583 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5583 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1132 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1132 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8910 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8910 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4473 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4473 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0036 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0036 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0036 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0036 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5501 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5501 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1132 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1132 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 -1.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 -1.4787 0.0000 O 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 1 1 0 0 0 0 | + | 27 1 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 30 14 1 0 0 0 0 | + | 30 14 1 0 0 0 0 |
| − | 20 31 1 0 0 0 0 | + | 20 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0016 | + | ID FLIAAANP0016 |
| − | KNApSAcK_ID C00009948 | + | KNApSAcK_ID C00009948 |
| − | NAME Euchrenone b9 | + | NAME Euchrenone b9 |
| − | CAS_RN 130170-05-7 | + | CAS_RN 130170-05-7 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c23)(c(O)c(CC(C(C)=C)O)c(O4)c3C=CC4(C)C)C(C(=CO2)c(c1)ccc(c1)O)=O | + | SMILES c(c23)(c(O)c(CC(C(C)=C)O)c(O4)c3C=CC4(C)C)C(C(=CO2)c(c1)ccc(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4473 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3347 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3347 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2216 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2216 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3340 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3340 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2216 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1132 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0036 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5501 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1132 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 -1.4787 0.0000 O 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
30 14 1 0 0 0 0
20 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0016
KNApSAcK_ID C00009948
NAME Euchrenone b9
CAS_RN 130170-05-7
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c23)(c(O)c(CC(C(C)=C)O)c(O4)c3C=CC4(C)C)C(C(=CO2)c(c1)ccc(c1)O)=O
M END
