Mol:FLIC1LNP0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9490 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9490 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9490 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9490 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8364 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8364 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8364 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8364 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2762 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2762 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2762 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2762 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2801 0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2801 0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8323 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8323 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8323 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8323 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4271 -1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4271 -1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0219 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0219 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0219 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0219 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4271 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4271 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5051 0.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5051 0.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2381 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2381 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9490 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9490 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5051 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5051 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5051 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5051 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0787 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0787 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6750 -1.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6750 -1.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0787 -1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0787 -1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6750 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6750 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0006 | + | ID FLIC1LNP0006 |
| − | KNApSAcK_ID C00009728 | + | KNApSAcK_ID C00009728 |
| − | NAME Leiocin | + | NAME Leiocin |
| − | CAS_RN 66446-88-6 | + | CAS_RN 66446-88-6 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES c(O5)(c1)c(OC5)cc(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)1)O | + | SMILES c(O5)(c1)c(OC5)cc(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.9490 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9490 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8364 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8364 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2801 0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8323 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8323 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4271 -1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0219 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0219 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4271 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5051 0.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2381 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9490 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5051 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5051 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 -1.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0787 -1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 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
8 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
12 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
S SKP 8
ID FLIC1LNP0006
KNApSAcK_ID C00009728
NAME Leiocin
CAS_RN 66446-88-6
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(O5)(c1)c(OC5)cc(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)1)O
M END
