Mol:LBST04010434
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
− | 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 4.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9135 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9135 -5.5548 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 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 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 |
− | 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 6 0 0 0 | + | 12 17 1 6 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 |
− | 3 25 2 0 0 0 0 | + | 3 25 2 0 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 |
− | 13 26 1 6 0 0 0 | + | 13 26 1 6 0 0 0 |
− | 4 27 1 0 0 0 0 | + | 4 27 1 0 0 0 0 |
− | 18 28 1 0 0 0 0 | + | 18 28 1 0 0 0 0 |
− | 18 29 2 0 0 0 0 | + | 18 29 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBST04010434 | + | ID LBST04010434 |
− | FORMULA C24H36O5 | + | FORMULA C24H36O5 |
− | EXACTMASS 404.256274262 | + | EXACTMASS 404.256274262 |
− | AVERAGEMASS 404.53964 | + | AVERAGEMASS 404.53964 |
− | SMILES C[C@H](CCC(O)=O)[C@@H](C1)[C@@](C)([C@H]4O)[C@H]([C@H](C3)[C@H](C4)[C@@](C2)(C(C3)=C(C(=O)C2)O)C)C1 | + | SMILES C[C@H](CCC(O)=O)[C@@H](C1)[C@@](C)([C@H]4O)[C@H]([C@H](C3)[C@H](C4)[C@@](C2)(C(C3)=C(C(=O)C2)O)C)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2444 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5534 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1714 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 0 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 6 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 3 25 2 0 0 0 0 21 22 1 6 0 0 0 12 23 1 1 0 0 0 6 24 1 1 0 0 0 13 26 1 6 0 0 0 4 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 2 0 0 0 0 S SKP 5 ID LBST04010434 FORMULA C24H36O5 EXACTMASS 404.256274262 AVERAGEMASS 404.53964 SMILES C[C@H](CCC(O)=O)[C@@H](C1)[C@@](C)([C@H]4O)[C@H]([C@H](C3)[C@H](C4)[C@@](C2)(C(C3)=C(C(=O)C2)O)C)C1 M END