Mol:FL1C1ANI0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5955 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5955 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9177 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9177 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9177 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9177 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5955 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5955 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2733 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2733 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2733 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2733 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5955 1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5955 1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8075 -0.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8075 -0.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5955 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5955 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2899 -1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2899 -1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8622 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8622 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4651 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4651 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2604 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2604 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2604 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2604 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9910 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9910 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5706 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5706 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5706 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5706 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2344 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2344 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8983 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8983 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8983 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8983 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2344 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2344 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4651 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4651 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2344 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2344 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5613 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5613 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5613 -1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5613 -1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9270 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9270 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9270 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9270 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4989 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4989 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2321 -1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2321 -1.7105 0.0000 C 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 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 |
| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 11 30 1 0 0 0 0 | + | 11 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0020 | + | ID FL1C1ANI0020 |
| − | KNApSAcK_ID C00011136 | + | KNApSAcK_ID C00011136 |
| − | NAME Bartericin D | + | NAME Bartericin D |
| − | CAS_RN 851771-46-5 | + | CAS_RN 851771-46-5 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(O)(Cc(c1O)cc(C=CC(=O)c(c(O)2)cc(c(O)c2)CC=C(C)C)cc1)C(C)=C | + | SMILES C(O)(Cc(c1O)cc(C=CC(=O)c(c(O)2)cc(c(O)c2)CC=C(C)C)cc1)C(C)=C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-1.5955 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8075 -0.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2899 -1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8622 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4651 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5706 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5706 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2344 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8983 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8983 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2344 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4651 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2344 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5613 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5613 -1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9270 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4989 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2321 -1.7105 0.0000 C 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
4 7 1 0 0 0 0
6 8 1 0 0 0 0
1 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
3 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 17 1 0 0 0 0
20 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
11 30 1 0 0 0 0
S SKP 8
ID FL1C1ANI0020
KNApSAcK_ID C00011136
NAME Bartericin D
CAS_RN 851771-46-5
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(O)(Cc(c1O)cc(C=CC(=O)c(c(O)2)cc(c(O)c2)CC=C(C)C)cc1)C(C)=C
M END
