Mol:FLIAALNP0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4092 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4092 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4092 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4092 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8529 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8529 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2966 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2966 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2966 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2966 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8529 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8529 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2597 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2597 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8160 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8160 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8160 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8160 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2597 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2597 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9669 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9669 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5617 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5617 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5617 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5617 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9669 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9669 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2597 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2597 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8529 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8529 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1559 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1559 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9655 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9655 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9653 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9653 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8529 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8529 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5214 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5214 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5214 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5214 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5214 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5214 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1559 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1559 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2968 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2968 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2968 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2968 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8517 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8517 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2581 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2581 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7779 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7779 -2.1193 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 21 2 0 0 0 0 | + | 24 21 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0008 | + | ID FLIAALNP0008 |
| − | KNApSAcK_ID C00009521 | + | KNApSAcK_ID C00009521 |
| − | NAME Auriculatin | + | NAME Auriculatin |
| − | CAS_RN 20387-73-9 | + | CAS_RN 20387-73-9 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OC=C(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C | + | SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OC=C(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4092 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8160 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2597 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1559 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7779 -2.1193 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
8 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 21 1 0 0 0 0
6 22 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 21 2 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FLIAALNP0008
KNApSAcK_ID C00009521
NAME Auriculatin
CAS_RN 20387-73-9
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OC=C(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C
M END
