Mol:FL2FA9NR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6975 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3442 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3442 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3442 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3442 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6975 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3860 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3860 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3860 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3860 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 -0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 -0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4407 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4407 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9751 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9751 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9751 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9751 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4407 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4407 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5385 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5385 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0175 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0175 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0175 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0175 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5385 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5385 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9751 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9751 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0246 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0246 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5851 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0246 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0246 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2179 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2179 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NR0001 | + | ID FL2FA9NR0001 |
| − | KNApSAcK_ID C00008403 | + | KNApSAcK_ID C00008403 |
| − | NAME Linderatone | + | NAME Linderatone |
| − | CAS_RN 98155-84-1 | + | CAS_RN 98155-84-1 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES Oc(c3)c(C(C4C(C)C)C=C(C)CC4)c(O)c(c31)C(=O)CC(c(c2)cccc2)O1 | + | SMILES Oc(c3)c(C(C4C(C)C)C=C(C)CC4)c(O)c(c31)C(=O)CC(c(c2)cccc2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.6975 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -0.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
S SKP 8
ID FL2FA9NR0001
KNApSAcK_ID C00008403
NAME Linderatone
CAS_RN 98155-84-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c3)c(C(C4C(C)C)C=C(C)CC4)c(O)c(c31)C(=O)CC(c(c2)cccc2)O1
M END
