Mol:FL1CQUNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 35 0 0 0 0 0 0 0 0999 V2000 | + | 34 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.9059 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9059 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9059 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9059 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1915 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1915 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4770 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4770 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4770 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4770 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1915 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1915 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5797 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5797 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7823 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7823 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1134 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1134 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3787 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3787 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7678 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7678 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4078 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4078 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8203 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8203 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6453 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6453 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0578 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0578 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6453 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6453 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8203 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8203 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3970 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3970 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1566 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1566 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1178 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1178 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1178 -2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1178 -2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5616 -2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5616 -2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5616 -3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5616 -3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9519 -2.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9519 -2.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1566 1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1566 1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6587 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6587 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6587 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6587 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9458 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9458 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7490 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7490 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5561 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5561 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2117 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2117 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9153 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9153 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9153 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5797 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5797 0.5211 0.0000 C 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 |
| − | 5 8 1 0 0 0 0 | + | 5 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 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 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 15 29 2 0 0 0 0 | + | 15 29 2 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CQUNI0001 | + | ID FL1CQUNI0001 |
| − | KNApSAcK_ID C00014586 | + | KNApSAcK_ID C00014586 |
| − | NAME Munchiwarin | + | NAME Munchiwarin |
| − | CAS_RN 213545-46-1 | + | CAS_RN 213545-46-1 |
| − | FORMULA C30H36O4 | + | FORMULA C30H36O4 |
| − | EXACTMASS 460.26135963999997 | + | EXACTMASS 460.26135963999997 |
| − | AVERAGEMASS 460.60444 | + | AVERAGEMASS 460.60444 |
| − | SMILES C(C(=C(O)C=Cc(c2)ccc(c2)O)1)=C(CC=C(C)C)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C | + | SMILES C(C(=C(O)C=Cc(c2)ccc(c2)O)1)=C(CC=C(C)C)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 35 0 0 0 0 0 0 0 0999 V2000
-3.9059 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9059 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1915 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4770 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4770 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1915 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5797 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7823 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1134 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3787 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7678 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4078 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6453 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6453 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1566 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 -2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 -3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9519 -2.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1566 1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6587 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9458 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7490 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5561 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5797 0.5211 0.0000 C 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
5 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 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 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
17 18 2 0 0 0 0
16 19 1 0 0 0 0
14 20 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
19 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
15 29 2 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1CQUNI0001
KNApSAcK_ID C00014586
NAME Munchiwarin
CAS_RN 213545-46-1
FORMULA C30H36O4
EXACTMASS 460.26135963999997
AVERAGEMASS 460.60444
SMILES C(C(=C(O)C=Cc(c2)ccc(c2)O)1)=C(CC=C(C)C)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C
M END
