Mol:FL1C1AND0001
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7846 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1185 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1185 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1185 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1185 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7846 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7846 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4507 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4507 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4507 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4507 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8247 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8247 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8247 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8247 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4614 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4614 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0980 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0980 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0980 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0980 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4614 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4614 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2030 0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2030 0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6271 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6271 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1370 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1370 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3950 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3950 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2962 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2962 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9345 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9345 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3950 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3950 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7347 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7347 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3714 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3714 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3714 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3714 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7347 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7347 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6855 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6855 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8978 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8978 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5216 1.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5216 1.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2166 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2166 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8978 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8978 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7100 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7100 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8832 -0.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8832 -0.6569 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 6 1 0 0 0 0 | + | 15 6 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 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 |
| − | 16 19 2 0 0 0 0 | + | 16 19 2 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 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 FL1C1AND0001 | + | ID FL1C1AND0001 |
| − | KNApSAcK_ID C00011143 | + | KNApSAcK_ID C00011143 |
| − | NAME Bartericin C | + | NAME Bartericin C |
| − | CAS_RN 681214-25-5 | + | CAS_RN 681214-25-5 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(c(c3)ccc(O4)c3CCC4(C)C)=CC(c(c1O)cc(C2)c(OC(C(C)(C)O)2)c1)=O | + | SMILES C(c(c3)ccc(O4)c3CCC4(C)C)=CC(c(c1O)cc(C2)c(OC(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 33 0 0 0 0 0 0 0 0999 V2000
-1.7846 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8247 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8247 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4614 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2030 0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6271 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1370 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2962 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3714 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3714 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6855 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8978 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5216 1.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2166 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8978 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7100 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8832 -0.6569 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
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
5 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 6 1 0 0 0 0
2 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
16 19 2 0 0 0 0
18 8 1 0 0 0 0
10 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 11 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
3 26 1 0 0 0 0
14 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 FL1C1AND0001
KNApSAcK_ID C00011143
NAME Bartericin C
CAS_RN 681214-25-5
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(c(c3)ccc(O4)c3CCC4(C)C)=CC(c(c1O)cc(C2)c(OC(C(C)(C)O)2)c1)=O
M END
