Mol:LBST04010242
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
− | 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7795 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7795 -5.5548 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 1 1 6 0 0 0 | + | 6 1 1 6 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 9 8 1 6 0 0 0 | + | 9 8 1 6 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 6 0 0 0 | + | 12 13 1 6 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 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 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
− | 21 22 1 6 0 0 0 | + | 21 22 1 6 0 0 0 |
− | 12 23 1 1 0 0 0 | + | 12 23 1 1 0 0 0 |
− | 6 24 1 1 0 0 0 | + | 6 24 1 1 0 0 0 |
− | 3 25 2 0 0 0 0 | + | 3 25 2 0 0 0 0 |
− | 8 26 1 6 0 0 0 | + | 8 26 1 6 0 0 0 |
− | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
− | 18 28 2 0 0 0 0 | + | 18 28 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBST04010242 | + | ID LBST04010242 |
− | FORMULA C24H34O4 | + | FORMULA C24H34O4 |
− | EXACTMASS 386.24570957599997 | + | EXACTMASS 386.24570957599997 |
− | AVERAGEMASS 386.52436 | + | AVERAGEMASS 386.52436 |
− | SMILES O[C@@H]([C@H]23)CC(=C1)[C@@]([C@H]2CC[C@@]([C@H]4[C@@H](CCC(O)=O)C)(C)[C@H]3CC4)(C=CC1=O)C | + | SMILES O[C@@H]([C@H]23)CC(=C1)[C@@]([C@H]2CC[C@@]([C@H]4[C@@H](CCC(O)=O)C)(C)[C@H]3CC4)(C=CC1=O)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/ 28 31 0 0 0 0 0 0 0 0999 V2000 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -5.5548 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 1 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 10 14 1 1 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 12 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 11 15 1 1 0 0 0 21 22 1 6 0 0 0 12 23 1 1 0 0 0 6 24 1 1 0 0 0 3 25 2 0 0 0 0 8 26 1 6 0 0 0 18 27 1 0 0 0 0 18 28 2 0 0 0 0 S SKP 5 ID LBST04010242 FORMULA C24H34O4 EXACTMASS 386.24570957599997 AVERAGEMASS 386.52436 SMILES O[C@@H]([C@H]23)CC(=C1)[C@@]([C@H]2CC[C@@]([C@H]4[C@@H](CCC(O)=O)C)(C)[C@H]3CC4)(C=CC1=O)C M END