Mol:FL1C1ANF0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9142 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9142 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2481 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2481 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2481 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2481 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9142 1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9142 1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5803 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5803 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5803 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5803 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1492 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1492 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5290 1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5290 1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8931 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8931 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3321 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3321 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3321 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3321 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9687 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9687 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6054 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6054 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9687 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9687 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9142 -1.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9142 -1.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2425 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2425 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5887 -1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5887 -1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5887 -0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5887 -0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1333 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1333 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1770 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1770 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3046 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3046 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7367 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7367 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3046 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3046 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4386 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4386 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6239 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6239 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1492 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1492 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8099 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8099 -0.3316 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 |
| − | 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 10 22 2 0 0 0 0 | + | 10 22 2 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANF0004 | + | ID FL1C1ANF0004 |
| − | KNApSAcK_ID C00011142 | + | KNApSAcK_ID C00011142 |
| − | NAME Bartericin B | + | NAME Bartericin B |
| − | CAS_RN 681214-46-0 | + | CAS_RN 681214-46-0 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c(C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)=O)1)(cc(O2)c(CC(C(C)(C)O)2)c1)O | + | SMILES c(c(C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)=O)1)(cc(O2)c(CC(C(C)(C)O)2)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.9142 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2481 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2481 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9142 1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1492 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5290 1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9687 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9687 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9142 -1.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2425 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 -1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 -0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3046 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7367 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3046 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4386 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6239 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1492 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8099 -0.3316 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
6 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 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 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
10 22 2 0 0 0 0
12 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
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1C1ANF0004
KNApSAcK_ID C00011142
NAME Bartericin B
CAS_RN 681214-46-0
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c(C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)=O)1)(cc(O2)c(CC(C(C)(C)O)2)c1)O
M END
