Mol:FL1C1ANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8085 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8085 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8085 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8085 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2522 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2522 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3041 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3041 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3041 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3041 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2522 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2522 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8604 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8604 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4167 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4167 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9728 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9728 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5289 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5289 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0899 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0899 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6509 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6509 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6509 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6509 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0899 0.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0899 0.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5289 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5289 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8604 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8604 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2522 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2522 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5399 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5399 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9836 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9836 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0960 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0960 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6509 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6509 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0960 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0960 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4275 1.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4275 1.0076 0.0000 O 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 |
| − | 17 3 1 0 0 0 0 | + | 17 3 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0003 | + | ID FL1C1ANI0003 |
| − | KNApSAcK_ID C00007053 | + | KNApSAcK_ID C00007053 |
| − | NAME Derricidin | + | NAME Derricidin |
| − | CAS_RN 38965-74-1 | + | CAS_RN 38965-74-1 |
| − | FORMULA C20H20O3 | + | FORMULA C20H20O3 |
| − | EXACTMASS 308.141244506 | + | EXACTMASS 308.141244506 |
| − | AVERAGEMASS 308.371 | + | AVERAGEMASS 308.371 |
| − | SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C | + | SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-0.8085 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8085 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3041 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3041 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 -0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9728 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 0.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2522 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5399 1.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9836 0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0960 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6509 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0960 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.0076 0.0000 O 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
17 3 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
19 23 1 0 0 0 0
1 23 1 0 0 0 0
S SKP 8
ID FL1C1ANI0003
KNApSAcK_ID C00007053
NAME Derricidin
CAS_RN 38965-74-1
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES c(c(C(=O)C=Cc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C
M END
