Mol:LBF20406SF06
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 32 0 0 0 0 0 0 0 0999 V2000 | + | 33 32 0 0 0 0 0 0 0 0999 V2000 |
− | 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0000 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 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 7 2 0 0 0 0 | + | 6 7 2 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 |
− | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 10 21 1 6 0 0 0 | + | 10 21 1 6 0 0 0 |
− | 11 28 1 6 0 0 0 | + | 11 28 1 6 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
− | 15 30 2 0 0 0 0 | + | 15 30 2 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 25 32 2 0 0 0 0 | + | 25 32 2 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 26 33 2 0 0 0 0 | + | 26 33 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20406SF06 | + | ID LBF20406SF06 |
− | FORMULA C25H39NO6S | + | FORMULA C25H39NO6S |
− | EXACTMASS 481.249808675 | + | EXACTMASS 481.249808675 |
− | AVERAGEMASS 481.6463 | + | AVERAGEMASS 481.6463 |
− | SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O | + | SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=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/ 33 32 0 0 0 0 0 0 0 0999 V2000 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1961 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 10 21 1 6 0 0 0 11 28 1 6 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 15 29 1 0 0 0 0 15 30 2 0 0 0 0 25 31 1 0 0 0 0 25 32 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 33 2 0 0 0 0 S SKP 5 ID LBF20406SF06 FORMULA C25H39NO6S EXACTMASS 481.249808675 AVERAGEMASS 481.6463 SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O M END