Mol:FL1C1ANI0024
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 |
| − | -2.2659 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2659 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5998 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5998 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5998 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5998 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.9320 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9320 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9320 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9320 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5009 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5009 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2448 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2448 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3637 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3637 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9803 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9803 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9803 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9803 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6170 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6170 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2537 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2537 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2537 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2537 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6170 1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6170 1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7788 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7788 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6170 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6170 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2868 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2868 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8745 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8745 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1843 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1843 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5009 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5009 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2659 1.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2659 1.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.6136 -1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6136 -1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9053 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9053 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6136 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6136 -1.9226 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0024 | + | ID FL1C1ANI0024 |
| − | KNApSAcK_ID C00011141 | + | KNApSAcK_ID C00011141 |
| − | NAME Bartericin A | + | NAME Bartericin A |
| − | CAS_RN 681214-24-4 | + | CAS_RN 681214-24-4 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(c(c(O)1)cc(CC(O)C(C)=C)c(c1)O)=O | + | SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(c(c(O)1)cc(CC(O)C(C)=C)c(c1)O)=O |
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
-2.2659 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5998 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5998 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2659 1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9320 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9320 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5009 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9803 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9803 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6170 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2537 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2537 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6170 1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7788 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6170 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2868 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1843 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5009 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2659 1.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2659 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6136 -1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6136 -1.9226 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
6 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 0 0 0 0
8 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
14 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
21 23 1 0 0 0 0
4 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
S SKP 8
ID FL1C1ANI0024
KNApSAcK_ID C00011141
NAME Bartericin A
CAS_RN 681214-24-4
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(c(c(O)1)cc(CC(O)C(C)=C)c(c1)O)=O
M END
