Mol:FL2FALNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.3701 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3701 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3701 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3701 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7425 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7425 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7425 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7425 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8551 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8551 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8551 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8551 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5451 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5451 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5451 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5451 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2988 -1.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2988 -1.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1862 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1862 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1121 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1121 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8443 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8443 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8948 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8948 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4497 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4497 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9264 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9264 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8948 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8948 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4486 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4486 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3411 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3411 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0047 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0047 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5584 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5584 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5584 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5584 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1121 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1121 -0.6479 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 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 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0002 | + | ID FL2FALNI0002 |
| − | KNApSAcK_ID C00008334 | + | KNApSAcK_ID C00008334 |
| − | NAME Kushenol F | + | NAME Kushenol F |
| − | CAS_RN 99211-14-0 | + | CAS_RN 99211-14-0 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES CC(=C)C(CC=C(C)C)Cc(c(O)3)c(c(c1c3)C(CC(c(c2)c(O)cc(O)c2)O1)=O)O | + | SMILES CC(=C)C(CC=C(C)C)Cc(c(O)3)c(c(c1c3)C(CC(c(c2)c(O)cc(O)c2)O1)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.3701 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7425 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5451 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5451 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 -1.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1862 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1121 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8443 1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4497 -0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9264 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3411 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 -0.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1121 -0.6479 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
19 14 1 0 0 0 0
16 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
24 1 1 0 0 0 0
22 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNI0002
KNApSAcK_ID C00008334
NAME Kushenol F
CAS_RN 99211-14-0
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES CC(=C)C(CC=C(C)C)Cc(c(O)3)c(c(c1c3)C(CC(c(c2)c(O)cc(O)c2)O1)=O)O
M END
