Mol:FL2FACNI0022
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.7582 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -1.4716 ...) |
|||
| Line 2: | Line 2: | ||
Copyright: ARM project http://www.metabolome.jp/ | Copyright: ARM project http://www.metabolome.jp/ | ||
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
-1.7582 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.7582 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
-1.0545 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.0545 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| Line 67: | Line 67: | ||
29 31 1 0 | 29 31 1 0 | ||
17 22 1 0 | 17 22 1 0 | ||
| − | S SKP | + | S SKP 8 |
ID FL2FACNI0022 | ID FL2FACNI0022 | ||
| + | KNApSAcK_ID C00035119 | ||
| + | NAME Isonymphaeol B | ||
| + | CAS_RN 682340-87-0 | ||
FORMULA C25H28O6 | FORMULA C25H28O6 | ||
| + | EXACTMASS | ||
| + | AVERAGEMASS | ||
| + | SMILES | ||
EXACTMASS 424.188588628 | EXACTMASS 424.188588628 | ||
AVERAGEMASS 424.48622 | AVERAGEMASS 424.48622 | ||
SMILES CC(C)=CCCC(C)=CCc(c(O)3)c(ccc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | SMILES CC(C)=CCCC(C)=CCc(c(O)3)c(ccc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | ||
M END | M END | ||
Revision as of 17:44, 28 July 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.7582 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0545 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3505 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3505 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0545 0.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 0.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3549 -2.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0531 -2.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9261 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4812 2.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5020 0.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7826 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4971 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2116 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9261 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2116 2.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 4 1 0
9 11 1 0
7 12 2 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
2 18 1 0
15 19 1 0
16 20 1 0
21 6 1 0
22 23 1 0
23 24 2 0
24 25 1 0
24 26 1 0
25 27 1 0
27 28 1 0
28 29 2 0
29 30 1 0
29 31 1 0
17 22 1 0
S SKP 8
ID FL2FACNI0022
KNApSAcK_ID C00035119
NAME Isonymphaeol B
CAS_RN 682340-87-0
FORMULA C25H28O6
EXACTMASS
AVERAGEMASS
SMILES
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES CC(C)=CCCC(C)=CCc(c(O)3)c(ccc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
