Mol:FL2F1ANI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6194 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6194 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9725 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9725 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9725 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9725 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6194 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6194 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2664 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2664 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2664 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2664 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3255 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3255 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3215 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3215 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3215 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3215 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3255 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3255 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3255 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3255 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8079 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8079 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6194 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6194 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2345 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2345 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2345 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2345 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7869 1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7869 1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2345 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2345 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6675 1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6675 1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0866 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0866 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6874 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6874 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2882 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2882 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2882 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2882 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6874 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6874 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0866 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0866 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8079 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8079 0.8868 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0011 | + | ID FL2F1ANI0011 |
| − | KNApSAcK_ID C00011114 | + | KNApSAcK_ID C00011114 |
| − | NAME Brosimacutin C | + | NAME Brosimacutin C |
| − | CAS_RN 350221-47-5 | + | CAS_RN 350221-47-5 |
| − | FORMULA C20H22O5 | + | FORMULA C20H22O5 |
| − | EXACTMASS 342.146723814 | + | EXACTMASS 342.146723814 |
| − | AVERAGEMASS 342.38568000000004 | + | AVERAGEMASS 342.38568000000004 |
| − | SMILES Oc(c1)ccc(C(C2)Oc(c(CCC(C)(C)O)3)c(ccc3O)C(=O)2)c1 | + | SMILES Oc(c1)ccc(C(C2)Oc(c(CCC(C)(C)O)3)c(ccc3O)C(=O)2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6194 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6194 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3215 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3215 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8079 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6194 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2345 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2345 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7869 1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2345 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6675 1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2882 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2882 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 0.8868 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
2 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 3 1 0 0 0 0
7 11 2 0 0 0 0
5 12 1 0 0 0 0
4 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 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 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
19 9 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL2F1ANI0011
KNApSAcK_ID C00011114
NAME Brosimacutin C
CAS_RN 350221-47-5
FORMULA C20H22O5
EXACTMASS 342.146723814
AVERAGEMASS 342.38568000000004
SMILES Oc(c1)ccc(C(C2)Oc(c(CCC(C)(C)O)3)c(ccc3O)C(=O)2)c1
M END
