Mol:FL2F1ANI0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 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 |
| − | -2.7844 0.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7844 0.6403 0.0000 O 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 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 9 20 1 1 0 0 0 | + | 9 20 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0010 | + | ID FL2F1ANI0010 |
| − | KNApSAcK_ID C00011113 | + | KNApSAcK_ID C00011113 |
| − | NAME Brosimacutin B | + | NAME Brosimacutin B |
| − | CAS_RN 478493-78-6 | + | CAS_RN 478493-78-6 |
| − | FORMULA C20H22O6 | + | FORMULA C20H22O6 |
| − | EXACTMASS 358.141638436 | + | EXACTMASS 358.141638436 |
| − | AVERAGEMASS 358.38508 | + | AVERAGEMASS 358.38508 |
| − | SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1 | + | SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)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/
26 28 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
-2.7844 0.6403 0.0000 O 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
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
9 20 1 1 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL2F1ANI0010
KNApSAcK_ID C00011113
NAME Brosimacutin B
CAS_RN 478493-78-6
FORMULA C20H22O6
EXACTMASS 358.141638436
AVERAGEMASS 358.38508
SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1
M END
