Mol:FL1CHYNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8212 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8212 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8212 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8212 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2649 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2649 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7086 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7086 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7086 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7086 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2649 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2649 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1523 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1523 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0399 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0399 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5162 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5162 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0772 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0772 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6382 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6382 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6382 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6382 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0772 1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0772 1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5162 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5162 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1523 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1523 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0399 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0399 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3773 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3773 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1990 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1990 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2649 -0.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2649 -0.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1990 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1990 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1990 -0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1990 -0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7057 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7057 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7057 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7057 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3773 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3773 -0.4480 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 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 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0003 | + | ID FL1CHYNI0003 |
| − | KNApSAcK_ID C00007005 | + | KNApSAcK_ID C00007005 |
| − | NAME Kanzonol A | + | NAME Kanzonol A |
| − | CAS_RN 155233-18-4 | + | CAS_RN 155233-18-4 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES Oc(c1)cc(O)c(C(CC(=O)c(c2)ccc(O)c2CC=C(C)C)=O)c1 | + | SMILES Oc(c1)cc(O)c(C(CC(=O)c(c2)ccc(O)c2CC=C(C)C)=O)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/
25 26 0 0 0 0 0 0 0 0999 V2000
-2.8212 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8212 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2649 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7086 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7086 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2649 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1523 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5162 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5162 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1523 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3773 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1990 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2649 -0.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1990 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1990 -0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7057 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7057 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3773 -0.4480 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 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 2 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
3 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL1CHYNI0003
KNApSAcK_ID C00007005
NAME Kanzonol A
CAS_RN 155233-18-4
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c1)cc(O)c(C(CC(=O)c(c2)ccc(O)c2CC=C(C)C)=O)c1
M END
