Mol:FL3FALNI0002
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 |
| − | -2.0069 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0069 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0069 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0069 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4506 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4506 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8943 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8943 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8943 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8943 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4506 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4506 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3380 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3380 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2183 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2183 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2183 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2183 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3380 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3380 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3380 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3380 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7744 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7744 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3413 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3413 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9083 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9083 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9083 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9083 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3413 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3413 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7744 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7744 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5630 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5630 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4218 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4218 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4544 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4544 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0093 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0093 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5630 -0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5630 -0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0093 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0093 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4506 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4506 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2076 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2076 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0002 | + | ID FL3FALNI0002 |
| − | KNApSAcK_ID C00004024 | + | KNApSAcK_ID C00004024 |
| − | NAME Albanin A | + | NAME Albanin A |
| − | CAS_RN 73343-42-7 | + | CAS_RN 73343-42-7 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(O)c2)O | + | SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(O)c2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0069 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0069 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4506 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8943 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8943 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4506 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9083 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9083 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5630 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4544 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0093 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5630 -0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0093 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4506 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
19 15 1 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
22 24 1 0 0 0 0
3 25 1 0 0 0 0
17 26 1 0 0 0 0
8 20 1 0 0 0 0
S SKP 8
ID FL3FALNI0002
KNApSAcK_ID C00004024
NAME Albanin A
CAS_RN 73343-42-7
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(O)c2)O
M END
